USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1061 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 MET CE :methyl -126:sc= -0.066 (180deg=-1.44) USER MOD Set 1.2: A 89 HIS : no HD1:sc= -0.0114 K(o=-0.077,f=-4.4!) USER MOD Set 2.1: A 43 SER OG : rot 175:sc= 0.81 USER MOD Set 2.2: A 46 THR OG1 : rot 81:sc= 0.717 USER MOD Set 3.1: A 31 HIS : no HD1:sc= -3.42 K(o=-7.2,f=-4.8!) USER MOD Set 3.2: A 33 GLN : amide:sc= -3.77 K(o=-7.2,f=-2.6) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 65:sc= 0.516 USER MOD Single : A 25 SER OG : rot -25:sc= 0.749 USER MOD Single : A 28 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.36) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.0309 X(o=-0.031,f=-0.53) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.211 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 116:sc= 0.709 USER MOD Single : A 78 THR OG1 : rot 100:sc= 0.54 USER MOD Single : A 87 THR OG1 : rot 133:sc= 0.317 USER MOD Single : A 88 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.4) USER MOD Single : A 102 HIS : no HE2:sc= -0.112 X(o=-0.11,f=-0.51) USER MOD Single : A 103 CYS SG : rot -85:sc= -1.82! USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0591 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 110 MET CE :methyl 147:sc= -0.0559 (180deg=-0.833) USER MOD Single : A 113 CYS SG : rot 75:sc= -2.74! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.01 K(o=-0.01,f=-0.93) USER MOD Single : A 141 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -3.334 13.813 8.529 1.00 0.32 N ATOM 21 CA ALA A 2 -1.994 13.470 7.992 1.00 20.41 C ATOM 22 C ALA A 2 -1.716 11.941 8.104 1.00 52.32 C ATOM 23 O ALA A 2 -0.713 11.437 7.579 1.00 64.35 O ATOM 24 CB ALA A 2 -0.925 14.298 8.724 1.00 1.34 C ATOM 0 HA ALA A 2 -1.960 13.717 6.931 1.00 20.41 H new ATOM 0 HB1 ALA A 2 0.061 14.048 8.332 1.00 1.34 H new ATOM 0 HB2 ALA A 2 -1.118 15.360 8.570 1.00 1.34 H new ATOM 0 HB3 ALA A 2 -0.958 14.074 9.790 1.00 1.34 H new ATOM 30 N THR A 3 -2.621 11.222 8.807 1.00 2.21 N ATOM 31 CA THR A 3 -2.627 9.742 8.887 1.00 44.23 C ATOM 32 C THR A 3 -3.819 9.199 8.065 1.00 61.22 C ATOM 33 O THR A 3 -4.983 9.439 8.401 1.00 64.34 O ATOM 34 CB THR A 3 -2.726 9.213 10.365 1.00 40.03 C ATOM 35 OG1 THR A 3 -1.618 9.706 11.136 1.00 25.14 O ATOM 36 CG2 THR A 3 -2.742 7.667 10.437 1.00 42.41 C ATOM 0 H THR A 3 -3.375 11.656 9.340 1.00 2.21 H new ATOM 0 HA THR A 3 -1.679 9.387 8.483 1.00 44.23 H new ATOM 0 HB THR A 3 -3.668 9.579 10.773 1.00 40.03 H new ATOM 0 HG1 THR A 3 -1.686 9.375 12.056 1.00 25.14 H new ATOM 0 HG21 THR A 3 -2.811 7.352 11.478 1.00 42.41 H new ATOM 0 HG22 THR A 3 -3.601 7.286 9.885 1.00 42.41 H new ATOM 0 HG23 THR A 3 -1.825 7.273 9.999 1.00 42.41 H new ATOM 44 N LEU A 4 -3.501 8.511 6.965 1.00 41.34 N ATOM 45 CA LEU A 4 -4.480 7.919 6.028 1.00 64.33 C ATOM 46 C LEU A 4 -4.687 6.429 6.357 1.00 42.14 C ATOM 47 O LEU A 4 -3.732 5.668 6.351 1.00 23.12 O ATOM 48 CB LEU A 4 -3.976 8.084 4.556 1.00 31.52 C ATOM 49 CG LEU A 4 -4.133 9.500 3.893 1.00 74.33 C ATOM 50 CD1 LEU A 4 -3.527 10.634 4.742 1.00 15.51 C ATOM 51 CD2 LEU A 4 -3.520 9.502 2.478 1.00 23.03 C ATOM 0 H LEU A 4 -2.534 8.342 6.688 1.00 41.34 H new ATOM 0 HA LEU A 4 -5.433 8.437 6.133 1.00 64.33 H new ATOM 0 HB2 LEU A 4 -2.920 7.815 4.529 1.00 31.52 H new ATOM 0 HB3 LEU A 4 -4.505 7.361 3.936 1.00 31.52 H new ATOM 0 HG LEU A 4 -5.203 9.697 3.827 1.00 74.33 H new ATOM 0 HD11 LEU A 4 -3.667 11.586 4.231 1.00 15.51 H new ATOM 0 HD12 LEU A 4 -4.023 10.667 5.712 1.00 15.51 H new ATOM 0 HD13 LEU A 4 -2.462 10.452 4.885 1.00 15.51 H new ATOM 0 HD21 LEU A 4 -3.637 10.490 2.032 1.00 23.03 H new ATOM 0 HD22 LEU A 4 -2.460 9.255 2.540 1.00 23.03 H new ATOM 0 HD23 LEU A 4 -4.029 8.763 1.860 1.00 23.03 H new ATOM 63 N ARG A 5 -5.928 6.013 6.652 1.00 33.34 N ATOM 64 CA ARG A 5 -6.264 4.579 6.849 1.00 54.35 C ATOM 65 C ARG A 5 -7.282 4.131 5.784 1.00 73.42 C ATOM 66 O ARG A 5 -8.426 4.589 5.792 1.00 55.33 O ATOM 67 CB ARG A 5 -6.852 4.321 8.265 1.00 25.22 C ATOM 68 CG ARG A 5 -7.110 2.820 8.577 1.00 5.43 C ATOM 69 CD ARG A 5 -8.022 2.608 9.800 1.00 22.34 C ATOM 70 NE ARG A 5 -9.428 2.947 9.502 1.00 5.35 N ATOM 71 CZ ARG A 5 -10.366 3.216 10.386 1.00 22.32 C ATOM 72 NH1 ARG A 5 -10.090 3.376 11.643 1.00 74.15 N ATOM 73 NH2 ARG A 5 -11.583 3.365 9.986 1.00 61.25 N ATOM 0 H ARG A 5 -6.722 6.644 6.761 1.00 33.34 H new ATOM 0 HA ARG A 5 -5.343 4.004 6.751 1.00 54.35 H new ATOM 0 HB2 ARG A 5 -6.167 4.724 9.011 1.00 25.22 H new ATOM 0 HB3 ARG A 5 -7.789 4.869 8.364 1.00 25.22 H new ATOM 0 HG2 ARG A 5 -7.563 2.346 7.706 1.00 5.43 H new ATOM 0 HG3 ARG A 5 -6.156 2.322 8.751 1.00 5.43 H new ATOM 0 HD2 ARG A 5 -7.960 1.569 10.124 1.00 22.34 H new ATOM 0 HD3 ARG A 5 -7.668 3.222 10.628 1.00 22.34 H new ATOM 0 HE ARG A 5 -9.698 2.975 8.519 1.00 5.35 H new ATOM 0 HH11 ARG A 5 -9.127 3.294 11.968 1.00 74.15 H new ATOM 0 HH12 ARG A 5 -10.836 3.584 12.307 1.00 74.15 H new ATOM 0 HH21 ARG A 5 -11.809 3.274 8.996 1.00 61.25 H new ATOM 0 HH22 ARG A 5 -12.319 3.574 10.660 1.00 61.25 H new ATOM 87 N ARG A 6 -6.864 3.226 4.881 1.00 23.54 N ATOM 88 CA ARG A 6 -7.723 2.664 3.812 1.00 4.13 C ATOM 89 C ARG A 6 -7.801 1.130 3.956 1.00 21.43 C ATOM 90 O ARG A 6 -6.783 0.484 4.173 1.00 11.14 O ATOM 91 CB ARG A 6 -7.173 3.052 2.408 1.00 53.12 C ATOM 92 CG ARG A 6 -7.194 4.566 2.062 1.00 1.13 C ATOM 93 CD ARG A 6 -8.621 5.161 1.903 1.00 11.35 C ATOM 94 NE ARG A 6 -9.313 5.317 3.197 1.00 74.33 N ATOM 95 CZ ARG A 6 -10.610 5.396 3.387 1.00 33.13 C ATOM 96 NH1 ARG A 6 -11.446 5.425 2.402 1.00 12.22 N ATOM 97 NH2 ARG A 6 -11.062 5.456 4.588 1.00 31.54 N ATOM 0 H ARG A 6 -5.913 2.858 4.869 1.00 23.54 H new ATOM 0 HA ARG A 6 -8.726 3.080 3.911 1.00 4.13 H new ATOM 0 HB2 ARG A 6 -6.145 2.697 2.332 1.00 53.12 H new ATOM 0 HB3 ARG A 6 -7.752 2.519 1.653 1.00 53.12 H new ATOM 0 HG2 ARG A 6 -6.669 5.114 2.844 1.00 1.13 H new ATOM 0 HG3 ARG A 6 -6.641 4.724 1.136 1.00 1.13 H new ATOM 0 HD2 ARG A 6 -8.554 6.131 1.410 1.00 11.35 H new ATOM 0 HD3 ARG A 6 -9.211 4.514 1.254 1.00 11.35 H new ATOM 0 HE ARG A 6 -8.724 5.369 4.028 1.00 74.33 H new ATOM 0 HH11 ARG A 6 -11.104 5.386 1.442 1.00 12.22 H new ATOM 0 HH12 ARG A 6 -12.448 5.487 2.585 1.00 12.22 H new ATOM 0 HH21 ARG A 6 -10.416 5.442 5.377 1.00 31.54 H new ATOM 0 HH22 ARG A 6 -12.067 5.518 4.752 1.00 31.54 H new ATOM 111 N SER A 7 -9.009 0.561 3.828 1.00 4.41 N ATOM 112 CA SER A 7 -9.254 -0.900 3.979 1.00 40.22 C ATOM 113 C SER A 7 -10.229 -1.419 2.902 1.00 31.45 C ATOM 114 O SER A 7 -10.987 -0.637 2.309 1.00 13.14 O ATOM 115 CB SER A 7 -9.816 -1.203 5.389 1.00 63.43 C ATOM 116 OG SER A 7 -11.070 -0.572 5.605 1.00 25.55 O ATOM 0 H SER A 7 -9.853 1.094 3.616 1.00 4.41 H new ATOM 0 HA SER A 7 -8.302 -1.415 3.851 1.00 40.22 H new ATOM 0 HB2 SER A 7 -9.925 -2.280 5.513 1.00 63.43 H new ATOM 0 HB3 SER A 7 -9.105 -0.866 6.144 1.00 63.43 H new ATOM 0 HG SER A 7 -11.394 -0.787 6.504 1.00 25.55 H new ATOM 122 N VAL A 8 -10.215 -2.748 2.658 1.00 62.14 N ATOM 123 CA VAL A 8 -11.054 -3.377 1.609 1.00 22.13 C ATOM 124 C VAL A 8 -11.328 -4.878 1.909 1.00 74.40 C ATOM 125 O VAL A 8 -10.509 -5.535 2.547 1.00 13.44 O ATOM 126 CB VAL A 8 -10.348 -3.228 0.204 1.00 65.13 C ATOM 127 CG1 VAL A 8 -9.113 -4.168 0.063 1.00 54.43 C ATOM 128 CG2 VAL A 8 -11.348 -3.410 -0.953 1.00 62.14 C ATOM 0 H VAL A 8 -9.632 -3.408 3.173 1.00 62.14 H new ATOM 0 HA VAL A 8 -12.015 -2.863 1.597 1.00 22.13 H new ATOM 0 HB VAL A 8 -9.968 -2.208 0.144 1.00 65.13 H new ATOM 0 HG11 VAL A 8 -8.661 -4.030 -0.919 1.00 54.43 H new ATOM 0 HG12 VAL A 8 -8.383 -3.928 0.836 1.00 54.43 H new ATOM 0 HG13 VAL A 8 -9.430 -5.205 0.174 1.00 54.43 H new ATOM 0 HG21 VAL A 8 -10.827 -3.301 -1.904 1.00 62.14 H new ATOM 0 HG22 VAL A 8 -11.794 -4.403 -0.895 1.00 62.14 H new ATOM 0 HG23 VAL A 8 -12.131 -2.655 -0.879 1.00 62.14 H new ATOM 138 N GLU A 9 -12.485 -5.406 1.445 1.00 21.44 N ATOM 139 CA GLU A 9 -12.798 -6.856 1.518 1.00 31.11 C ATOM 140 C GLU A 9 -12.349 -7.562 0.214 1.00 22.42 C ATOM 141 O GLU A 9 -12.838 -7.245 -0.873 1.00 42.50 O ATOM 142 CB GLU A 9 -14.321 -7.105 1.732 1.00 15.42 C ATOM 143 CG GLU A 9 -14.701 -8.605 1.858 1.00 44.40 C ATOM 144 CD GLU A 9 -16.203 -8.887 1.651 1.00 52.43 C ATOM 145 OE1 GLU A 9 -16.643 -8.982 0.481 1.00 41.01 O ATOM 146 OE2 GLU A 9 -16.948 -9.020 2.645 1.00 44.41 O ATOM 0 H GLU A 9 -13.222 -4.847 1.014 1.00 21.44 H new ATOM 0 HA GLU A 9 -12.258 -7.265 2.372 1.00 31.11 H new ATOM 0 HB2 GLU A 9 -14.642 -6.582 2.633 1.00 15.42 H new ATOM 0 HB3 GLU A 9 -14.871 -6.670 0.898 1.00 15.42 H new ATOM 0 HG2 GLU A 9 -14.130 -9.177 1.127 1.00 44.40 H new ATOM 0 HG3 GLU A 9 -14.406 -8.963 2.844 1.00 44.40 H new ATOM 153 N VAL A 10 -11.430 -8.521 0.347 1.00 51.41 N ATOM 154 CA VAL A 10 -10.913 -9.350 -0.765 1.00 61.12 C ATOM 155 C VAL A 10 -11.479 -10.786 -0.656 1.00 70.35 C ATOM 156 O VAL A 10 -11.328 -11.415 0.388 1.00 64.15 O ATOM 157 CB VAL A 10 -9.346 -9.380 -0.697 1.00 11.12 C ATOM 158 CG1 VAL A 10 -8.748 -10.277 -1.798 1.00 45.43 C ATOM 159 CG2 VAL A 10 -8.775 -7.939 -0.765 1.00 41.23 C ATOM 0 H VAL A 10 -11.010 -8.755 1.247 1.00 51.41 H new ATOM 0 HA VAL A 10 -11.226 -8.923 -1.718 1.00 61.12 H new ATOM 0 HB VAL A 10 -9.056 -9.816 0.259 1.00 11.12 H new ATOM 0 HG11 VAL A 10 -7.661 -10.273 -1.720 1.00 45.43 H new ATOM 0 HG12 VAL A 10 -9.117 -11.296 -1.678 1.00 45.43 H new ATOM 0 HG13 VAL A 10 -9.043 -9.897 -2.776 1.00 45.43 H new ATOM 0 HG21 VAL A 10 -7.687 -7.976 -0.717 1.00 41.23 H new ATOM 0 HG22 VAL A 10 -9.081 -7.470 -1.700 1.00 41.23 H new ATOM 0 HG23 VAL A 10 -9.156 -7.357 0.074 1.00 41.23 H new ATOM 169 N ALA A 11 -12.141 -11.298 -1.721 1.00 32.13 N ATOM 170 CA ALA A 11 -12.658 -12.691 -1.743 1.00 52.41 C ATOM 171 C ALA A 11 -11.517 -13.711 -2.016 1.00 11.12 C ATOM 172 O ALA A 11 -11.424 -14.303 -3.095 1.00 43.42 O ATOM 173 CB ALA A 11 -13.816 -12.826 -2.756 1.00 70.43 C ATOM 0 H ALA A 11 -12.330 -10.771 -2.574 1.00 32.13 H new ATOM 0 HA ALA A 11 -13.059 -12.925 -0.757 1.00 52.41 H new ATOM 0 HB1 ALA A 11 -14.181 -13.853 -2.757 1.00 70.43 H new ATOM 0 HB2 ALA A 11 -14.626 -12.154 -2.474 1.00 70.43 H new ATOM 0 HB3 ALA A 11 -13.460 -12.567 -3.753 1.00 70.43 H new ATOM 179 N ALA A 12 -10.650 -13.891 -1.001 1.00 11.41 N ATOM 180 CA ALA A 12 -9.450 -14.751 -1.081 1.00 50.10 C ATOM 181 C ALA A 12 -8.841 -14.985 0.328 1.00 75.00 C ATOM 182 O ALA A 12 -9.056 -14.168 1.235 1.00 71.54 O ATOM 183 CB ALA A 12 -8.408 -14.119 -2.018 1.00 22.13 C ATOM 0 H ALA A 12 -10.763 -13.440 -0.093 1.00 11.41 H new ATOM 0 HA ALA A 12 -9.747 -15.719 -1.486 1.00 50.10 H new ATOM 0 HB1 ALA A 12 -7.528 -14.761 -2.070 1.00 22.13 H new ATOM 0 HB2 ALA A 12 -8.835 -14.008 -3.015 1.00 22.13 H new ATOM 0 HB3 ALA A 12 -8.121 -13.140 -1.635 1.00 22.13 H new ATOM 189 N PRO A 13 -8.073 -16.109 0.533 1.00 12.50 N ATOM 190 CA PRO A 13 -7.368 -16.381 1.817 1.00 61.42 C ATOM 191 C PRO A 13 -6.184 -15.396 2.061 1.00 22.03 C ATOM 192 O PRO A 13 -5.438 -15.083 1.125 1.00 21.34 O ATOM 193 CB PRO A 13 -6.864 -17.849 1.655 1.00 75.21 C ATOM 194 CG PRO A 13 -7.566 -18.390 0.433 1.00 70.22 C ATOM 195 CD PRO A 13 -7.834 -17.202 -0.449 1.00 24.31 C ATOM 0 HA PRO A 13 -8.018 -16.246 2.681 1.00 61.42 H new ATOM 0 HB2 PRO A 13 -5.782 -17.880 1.530 1.00 75.21 H new ATOM 0 HB3 PRO A 13 -7.100 -18.444 2.537 1.00 75.21 H new ATOM 0 HG2 PRO A 13 -6.946 -19.125 -0.080 1.00 70.22 H new ATOM 0 HG3 PRO A 13 -8.495 -18.891 0.706 1.00 70.22 H new ATOM 0 HD2 PRO A 13 -6.988 -16.983 -1.100 1.00 24.31 H new ATOM 0 HD3 PRO A 13 -8.698 -17.363 -1.093 1.00 24.31 H new ATOM 203 N ALA A 14 -6.049 -14.913 3.322 1.00 54.43 N ATOM 204 CA ALA A 14 -5.019 -13.922 3.756 1.00 50.01 C ATOM 205 C ALA A 14 -3.582 -14.189 3.233 1.00 34.21 C ATOM 206 O ALA A 14 -2.914 -13.263 2.779 1.00 33.42 O ATOM 207 CB ALA A 14 -5.013 -13.824 5.301 1.00 63.12 C ATOM 0 H ALA A 14 -6.662 -15.204 4.083 1.00 54.43 H new ATOM 0 HA ALA A 14 -5.313 -12.976 3.302 1.00 50.01 H new ATOM 0 HB1 ALA A 14 -4.261 -13.101 5.617 1.00 63.12 H new ATOM 0 HB2 ALA A 14 -5.995 -13.502 5.649 1.00 63.12 H new ATOM 0 HB3 ALA A 14 -4.779 -14.800 5.727 1.00 63.12 H new ATOM 213 N ALA A 15 -3.113 -15.446 3.337 1.00 44.13 N ATOM 214 CA ALA A 15 -1.750 -15.844 2.879 1.00 34.41 C ATOM 215 C ALA A 15 -1.561 -15.655 1.356 1.00 2.11 C ATOM 216 O ALA A 15 -0.520 -15.165 0.908 1.00 54.34 O ATOM 217 CB ALA A 15 -1.459 -17.297 3.267 1.00 41.40 C ATOM 0 H ALA A 15 -3.654 -16.214 3.735 1.00 44.13 H new ATOM 0 HA ALA A 15 -1.041 -15.184 3.380 1.00 34.41 H new ATOM 0 HB1 ALA A 15 -0.461 -17.572 2.926 1.00 41.40 H new ATOM 0 HB2 ALA A 15 -1.514 -17.402 4.351 1.00 41.40 H new ATOM 0 HB3 ALA A 15 -2.195 -17.952 2.801 1.00 41.40 H new ATOM 223 N ASP A 16 -2.558 -16.099 0.575 1.00 31.03 N ATOM 224 CA ASP A 16 -2.566 -15.968 -0.903 1.00 51.41 C ATOM 225 C ASP A 16 -2.504 -14.488 -1.356 1.00 33.10 C ATOM 226 O ASP A 16 -1.820 -14.147 -2.329 1.00 13.34 O ATOM 227 CB ASP A 16 -3.831 -16.657 -1.465 1.00 61.24 C ATOM 228 CG ASP A 16 -3.867 -18.169 -1.161 1.00 24.04 C ATOM 229 OD1 ASP A 16 -4.015 -18.542 0.021 1.00 22.21 O ATOM 230 OD2 ASP A 16 -3.753 -18.989 -2.101 1.00 42.23 O ATOM 0 H ASP A 16 -3.388 -16.562 0.946 1.00 31.03 H new ATOM 0 HA ASP A 16 -1.673 -16.455 -1.296 1.00 51.41 H new ATOM 0 HB2 ASP A 16 -4.717 -16.184 -1.041 1.00 61.24 H new ATOM 0 HB3 ASP A 16 -3.874 -16.506 -2.544 1.00 61.24 H new ATOM 235 N VAL A 17 -3.224 -13.624 -0.628 1.00 61.53 N ATOM 236 CA VAL A 17 -3.228 -12.162 -0.863 1.00 71.50 C ATOM 237 C VAL A 17 -1.907 -11.513 -0.374 1.00 12.31 C ATOM 238 O VAL A 17 -1.429 -10.535 -0.950 1.00 21.03 O ATOM 239 CB VAL A 17 -4.457 -11.482 -0.164 1.00 63.41 C ATOM 240 CG1 VAL A 17 -4.516 -9.972 -0.489 1.00 33.01 C ATOM 241 CG2 VAL A 17 -5.774 -12.188 -0.559 1.00 42.31 C ATOM 0 H VAL A 17 -3.824 -13.914 0.144 1.00 61.53 H new ATOM 0 HA VAL A 17 -3.311 -12.004 -1.938 1.00 71.50 H new ATOM 0 HB VAL A 17 -4.331 -11.585 0.914 1.00 63.41 H new ATOM 0 HG11 VAL A 17 -5.377 -9.526 0.008 1.00 33.01 H new ATOM 0 HG12 VAL A 17 -3.604 -9.488 -0.138 1.00 33.01 H new ATOM 0 HG13 VAL A 17 -4.608 -9.835 -1.566 1.00 33.01 H new ATOM 0 HG21 VAL A 17 -6.612 -11.699 -0.062 1.00 42.31 H new ATOM 0 HG22 VAL A 17 -5.908 -12.130 -1.639 1.00 42.31 H new ATOM 0 HG23 VAL A 17 -5.732 -13.234 -0.255 1.00 42.31 H new ATOM 251 N TRP A 18 -1.339 -12.055 0.720 1.00 23.00 N ATOM 252 CA TRP A 18 -0.048 -11.585 1.266 1.00 52.10 C ATOM 253 C TRP A 18 1.129 -11.908 0.306 1.00 63.13 C ATOM 254 O TRP A 18 2.124 -11.187 0.271 1.00 35.40 O ATOM 255 CB TRP A 18 0.210 -12.174 2.682 1.00 24.13 C ATOM 256 CG TRP A 18 1.502 -11.675 3.283 1.00 2.22 C ATOM 257 CD1 TRP A 18 2.652 -12.385 3.517 1.00 63.40 C ATOM 258 CD2 TRP A 18 1.791 -10.318 3.658 1.00 34.20 C ATOM 259 NE1 TRP A 18 3.621 -11.555 4.012 1.00 53.51 N ATOM 260 CE2 TRP A 18 3.115 -10.286 4.115 1.00 3.42 C ATOM 261 CE3 TRP A 18 1.052 -9.130 3.654 1.00 32.43 C ATOM 262 CZ2 TRP A 18 3.716 -9.118 4.560 1.00 65.43 C ATOM 263 CZ3 TRP A 18 1.648 -7.971 4.095 1.00 74.32 C ATOM 264 CH2 TRP A 18 2.973 -7.977 4.540 1.00 1.21 C ATOM 0 H TRP A 18 -1.755 -12.823 1.247 1.00 23.00 H new ATOM 0 HA TRP A 18 -0.109 -10.501 1.358 1.00 52.10 H new ATOM 0 HB2 TRP A 18 -0.619 -11.911 3.339 1.00 24.13 H new ATOM 0 HB3 TRP A 18 0.236 -13.262 2.621 1.00 24.13 H new ATOM 0 HD1 TRP A 18 2.775 -13.443 3.337 1.00 63.40 H new ATOM 0 HE1 TRP A 18 4.569 -11.836 4.264 1.00 53.51 H new ATOM 0 HE3 TRP A 18 0.028 -9.123 3.310 1.00 32.43 H new ATOM 0 HZ2 TRP A 18 4.738 -9.114 4.910 1.00 65.43 H new ATOM 0 HZ3 TRP A 18 1.087 -7.048 4.097 1.00 74.32 H new ATOM 0 HH2 TRP A 18 3.419 -7.053 4.877 1.00 1.21 H new ATOM 275 N THR A 19 1.001 -12.997 -0.467 1.00 64.05 N ATOM 276 CA THR A 19 1.955 -13.339 -1.557 1.00 45.45 C ATOM 277 C THR A 19 1.996 -12.207 -2.631 1.00 1.03 C ATOM 278 O THR A 19 3.029 -11.945 -3.258 1.00 42.54 O ATOM 279 CB THR A 19 1.536 -14.691 -2.236 1.00 64.44 C ATOM 280 OG1 THR A 19 1.334 -15.704 -1.232 1.00 22.42 O ATOM 281 CG2 THR A 19 2.583 -15.196 -3.243 1.00 5.34 C ATOM 0 H THR A 19 0.240 -13.669 -0.363 1.00 64.05 H new ATOM 0 HA THR A 19 2.948 -13.445 -1.120 1.00 45.45 H new ATOM 0 HB THR A 19 0.612 -14.496 -2.780 1.00 64.44 H new ATOM 0 HG1 THR A 19 0.574 -15.456 -0.665 1.00 22.42 H new ATOM 0 HG21 THR A 19 2.243 -16.134 -3.683 1.00 5.34 H new ATOM 0 HG22 THR A 19 2.718 -14.454 -4.030 1.00 5.34 H new ATOM 0 HG23 THR A 19 3.531 -15.359 -2.731 1.00 5.34 H new ATOM 289 N LEU A 20 0.844 -11.537 -2.786 1.00 0.13 N ATOM 290 CA LEU A 20 0.599 -10.484 -3.791 1.00 4.15 C ATOM 291 C LEU A 20 1.109 -9.083 -3.314 1.00 71.24 C ATOM 292 O LEU A 20 1.855 -8.410 -4.040 1.00 71.14 O ATOM 293 CB LEU A 20 -0.934 -10.487 -4.068 1.00 54.15 C ATOM 294 CG LEU A 20 -1.508 -9.423 -5.046 1.00 3.12 C ATOM 295 CD1 LEU A 20 -0.900 -9.546 -6.447 1.00 65.43 C ATOM 296 CD2 LEU A 20 -3.045 -9.519 -5.108 1.00 23.42 C ATOM 0 H LEU A 20 0.030 -11.717 -2.198 1.00 0.13 H new ATOM 0 HA LEU A 20 1.156 -10.687 -4.705 1.00 4.15 H new ATOM 0 HB2 LEU A 20 -1.200 -11.471 -4.454 1.00 54.15 H new ATOM 0 HB3 LEU A 20 -1.445 -10.370 -3.112 1.00 54.15 H new ATOM 0 HG LEU A 20 -1.233 -8.442 -4.659 1.00 3.12 H new ATOM 0 HD11 LEU A 20 -1.329 -8.784 -7.098 1.00 65.43 H new ATOM 0 HD12 LEU A 20 0.180 -9.408 -6.389 1.00 65.43 H new ATOM 0 HD13 LEU A 20 -1.118 -10.534 -6.853 1.00 65.43 H new ATOM 0 HD21 LEU A 20 -3.429 -8.767 -5.797 1.00 23.42 H new ATOM 0 HD22 LEU A 20 -3.334 -10.511 -5.456 1.00 23.42 H new ATOM 0 HD23 LEU A 20 -3.461 -9.347 -4.115 1.00 23.42 H new ATOM 308 N VAL A 21 0.691 -8.656 -2.097 1.00 62.10 N ATOM 309 CA VAL A 21 1.067 -7.326 -1.517 1.00 44.41 C ATOM 310 C VAL A 21 2.419 -7.348 -0.754 1.00 40.40 C ATOM 311 O VAL A 21 3.192 -6.391 -0.836 1.00 4.21 O ATOM 312 CB VAL A 21 -0.052 -6.756 -0.557 1.00 51.44 C ATOM 313 CG1 VAL A 21 -1.337 -6.425 -1.335 1.00 1.21 C ATOM 314 CG2 VAL A 21 -0.360 -7.714 0.623 1.00 13.31 C ATOM 0 H VAL A 21 0.089 -9.211 -1.489 1.00 62.10 H new ATOM 0 HA VAL A 21 1.174 -6.670 -2.381 1.00 44.41 H new ATOM 0 HB VAL A 21 0.342 -5.833 -0.131 1.00 51.44 H new ATOM 0 HG11 VAL A 21 -2.088 -6.035 -0.648 1.00 1.21 H new ATOM 0 HG12 VAL A 21 -1.119 -5.677 -2.097 1.00 1.21 H new ATOM 0 HG13 VAL A 21 -1.716 -7.329 -1.812 1.00 1.21 H new ATOM 0 HG21 VAL A 21 -1.135 -7.277 1.253 1.00 13.31 H new ATOM 0 HG22 VAL A 21 -0.706 -8.672 0.234 1.00 13.31 H new ATOM 0 HG23 VAL A 21 0.544 -7.867 1.213 1.00 13.31 H new ATOM 324 N GLY A 22 2.684 -8.452 -0.021 1.00 11.50 N ATOM 325 CA GLY A 22 3.868 -8.580 0.864 1.00 62.14 C ATOM 326 C GLY A 22 5.211 -8.706 0.139 1.00 74.45 C ATOM 327 O GLY A 22 6.279 -8.714 0.781 1.00 22.34 O ATOM 0 H GLY A 22 2.086 -9.278 -0.025 1.00 11.50 H new ATOM 0 HA2 GLY A 22 3.907 -7.711 1.520 1.00 62.14 H new ATOM 0 HA3 GLY A 22 3.733 -9.454 1.501 1.00 62.14 H new ATOM 331 N ASP A 23 5.153 -8.864 -1.193 1.00 31.31 N ATOM 332 CA ASP A 23 6.315 -8.711 -2.068 1.00 12.55 C ATOM 333 C ASP A 23 6.359 -7.251 -2.580 1.00 5.03 C ATOM 334 O ASP A 23 5.477 -6.810 -3.329 1.00 44.42 O ATOM 335 CB ASP A 23 6.264 -9.720 -3.236 1.00 60.31 C ATOM 336 CG ASP A 23 7.572 -9.725 -4.043 1.00 4.43 C ATOM 337 OD1 ASP A 23 7.691 -8.955 -5.011 1.00 24.20 O ATOM 338 OD2 ASP A 23 8.507 -10.468 -3.677 1.00 33.04 O ATOM 0 H ASP A 23 4.295 -9.102 -1.690 1.00 31.31 H new ATOM 0 HA ASP A 23 7.227 -8.923 -1.510 1.00 12.55 H new ATOM 0 HB2 ASP A 23 6.074 -10.720 -2.845 1.00 60.31 H new ATOM 0 HB3 ASP A 23 5.432 -9.472 -3.894 1.00 60.31 H new ATOM 343 N PHE A 24 7.400 -6.527 -2.153 1.00 13.12 N ATOM 344 CA PHE A 24 7.576 -5.074 -2.393 1.00 60.12 C ATOM 345 C PHE A 24 7.638 -4.702 -3.905 1.00 52.11 C ATOM 346 O PHE A 24 7.282 -3.577 -4.279 1.00 42.40 O ATOM 347 CB PHE A 24 8.858 -4.628 -1.639 1.00 14.24 C ATOM 348 CG PHE A 24 9.187 -3.136 -1.668 1.00 5.21 C ATOM 349 CD1 PHE A 24 8.343 -2.202 -1.063 1.00 14.31 C ATOM 350 CD2 PHE A 24 10.365 -2.672 -2.262 1.00 43.03 C ATOM 351 CE1 PHE A 24 8.662 -0.858 -1.068 1.00 51.00 C ATOM 352 CE2 PHE A 24 10.674 -1.329 -2.264 1.00 12.55 C ATOM 353 CZ PHE A 24 9.827 -0.423 -1.659 1.00 34.32 C ATOM 0 H PHE A 24 8.166 -6.936 -1.618 1.00 13.12 H new ATOM 0 HA PHE A 24 6.702 -4.543 -2.015 1.00 60.12 H new ATOM 0 HB2 PHE A 24 8.765 -4.936 -0.598 1.00 14.24 H new ATOM 0 HB3 PHE A 24 9.705 -5.171 -2.057 1.00 14.24 H new ATOM 0 HD1 PHE A 24 7.432 -2.534 -0.587 1.00 14.31 H new ATOM 0 HD2 PHE A 24 11.041 -3.375 -2.725 1.00 43.03 H new ATOM 0 HE1 PHE A 24 7.995 -0.145 -0.606 1.00 51.00 H new ATOM 0 HE2 PHE A 24 11.580 -0.985 -2.740 1.00 12.55 H new ATOM 0 HZ PHE A 24 10.078 0.627 -1.649 1.00 34.32 H new ATOM 363 N SER A 25 8.060 -5.653 -4.769 1.00 70.22 N ATOM 364 CA SER A 25 8.189 -5.409 -6.233 1.00 31.23 C ATOM 365 C SER A 25 6.953 -5.892 -7.023 1.00 45.21 C ATOM 366 O SER A 25 6.720 -5.432 -8.139 1.00 51.25 O ATOM 367 CB SER A 25 9.459 -6.085 -6.798 1.00 73.30 C ATOM 368 OG SER A 25 9.377 -7.497 -6.809 1.00 35.35 O ATOM 0 H SER A 25 8.318 -6.597 -4.483 1.00 70.22 H new ATOM 0 HA SER A 25 8.266 -4.329 -6.358 1.00 31.23 H new ATOM 0 HB2 SER A 25 9.632 -5.729 -7.814 1.00 73.30 H new ATOM 0 HB3 SER A 25 10.320 -5.782 -6.203 1.00 73.30 H new ATOM 0 HG SER A 25 8.748 -7.794 -6.118 1.00 35.35 H new ATOM 374 N ALA A 26 6.118 -6.770 -6.417 1.00 61.55 N ATOM 375 CA ALA A 26 4.971 -7.427 -7.118 1.00 2.22 C ATOM 376 C ALA A 26 3.704 -6.543 -7.086 1.00 72.51 C ATOM 377 O ALA A 26 2.597 -7.001 -7.393 1.00 11.51 O ATOM 378 CB ALA A 26 4.681 -8.804 -6.491 1.00 45.51 C ATOM 0 H ALA A 26 6.212 -7.045 -5.439 1.00 61.55 H new ATOM 0 HA ALA A 26 5.252 -7.564 -8.162 1.00 2.22 H new ATOM 0 HB1 ALA A 26 3.844 -9.271 -7.010 1.00 45.51 H new ATOM 0 HB2 ALA A 26 5.563 -9.438 -6.581 1.00 45.51 H new ATOM 0 HB3 ALA A 26 4.430 -8.679 -5.438 1.00 45.51 H new ATOM 384 N ILE A 27 3.900 -5.261 -6.754 1.00 72.34 N ATOM 385 CA ILE A 27 2.824 -4.273 -6.631 1.00 40.51 C ATOM 386 C ILE A 27 2.158 -3.964 -8.008 1.00 5.21 C ATOM 387 O ILE A 27 0.982 -3.611 -8.068 1.00 41.10 O ATOM 388 CB ILE A 27 3.350 -2.970 -5.908 1.00 25.45 C ATOM 389 CG1 ILE A 27 2.164 -1.994 -5.648 1.00 24.13 C ATOM 390 CG2 ILE A 27 4.495 -2.295 -6.701 1.00 13.50 C ATOM 391 CD1 ILE A 27 2.444 -0.805 -4.749 1.00 42.24 C ATOM 0 H ILE A 27 4.825 -4.876 -6.561 1.00 72.34 H new ATOM 0 HA ILE A 27 2.039 -4.700 -6.007 1.00 40.51 H new ATOM 0 HB ILE A 27 3.775 -3.255 -4.946 1.00 25.45 H new ATOM 0 HG12 ILE A 27 1.815 -1.618 -6.610 1.00 24.13 H new ATOM 0 HG13 ILE A 27 1.344 -2.564 -5.212 1.00 24.13 H new ATOM 0 HG21 ILE A 27 4.828 -1.403 -6.171 1.00 13.50 H new ATOM 0 HG22 ILE A 27 5.328 -2.991 -6.800 1.00 13.50 H new ATOM 0 HG23 ILE A 27 4.136 -2.015 -7.691 1.00 13.50 H new ATOM 0 HD11 ILE A 27 1.540 -0.204 -4.648 1.00 42.24 H new ATOM 0 HD12 ILE A 27 2.757 -1.158 -3.766 1.00 42.24 H new ATOM 0 HD13 ILE A 27 3.236 -0.197 -5.186 1.00 42.24 H new ATOM 403 N HIS A 28 2.903 -4.174 -9.113 1.00 33.11 N ATOM 404 CA HIS A 28 2.368 -4.045 -10.500 1.00 32.24 C ATOM 405 C HIS A 28 1.256 -5.097 -10.834 1.00 73.43 C ATOM 406 O HIS A 28 0.574 -4.970 -11.855 1.00 22.45 O ATOM 407 CB HIS A 28 3.530 -4.141 -11.528 1.00 1.05 C ATOM 408 CG HIS A 28 4.348 -5.409 -11.430 1.00 1.42 C ATOM 409 ND1 HIS A 28 3.900 -6.636 -11.863 1.00 53.31 N ATOM 410 CD2 HIS A 28 5.578 -5.635 -10.916 1.00 21.03 C ATOM 411 CE1 HIS A 28 4.811 -7.551 -11.611 1.00 44.23 C ATOM 412 NE2 HIS A 28 5.836 -6.972 -11.042 1.00 62.51 N ATOM 0 H HIS A 28 3.888 -4.437 -9.078 1.00 33.11 H new ATOM 0 HA HIS A 28 1.894 -3.065 -10.566 1.00 32.24 H new ATOM 0 HB2 HIS A 28 3.116 -4.067 -12.534 1.00 1.05 H new ATOM 0 HB3 HIS A 28 4.191 -3.285 -11.392 1.00 1.05 H new ATOM 0 HD2 HIS A 28 6.236 -4.895 -10.485 1.00 21.03 H new ATOM 0 HE1 HIS A 28 4.726 -8.604 -11.836 1.00 44.23 H new ATOM 0 HE2 HIS A 28 6.690 -7.442 -10.741 1.00 62.51 H new ATOM 421 N ARG A 29 1.094 -6.136 -9.978 1.00 34.31 N ATOM 422 CA ARG A 29 0.103 -7.229 -10.198 1.00 71.30 C ATOM 423 C ARG A 29 -1.320 -6.863 -9.688 1.00 34.43 C ATOM 424 O ARG A 29 -2.318 -7.372 -10.212 1.00 61.12 O ATOM 425 CB ARG A 29 0.567 -8.533 -9.499 1.00 41.11 C ATOM 426 CG ARG A 29 1.942 -9.073 -9.941 1.00 3.13 C ATOM 427 CD ARG A 29 2.314 -10.389 -9.230 1.00 61.20 C ATOM 428 NE ARG A 29 1.377 -11.491 -9.546 1.00 33.43 N ATOM 429 CZ ARG A 29 1.601 -12.468 -10.409 1.00 54.15 C ATOM 430 NH1 ARG A 29 2.705 -12.523 -11.097 1.00 61.53 N ATOM 431 NH2 ARG A 29 0.701 -13.382 -10.587 1.00 44.51 N ATOM 0 H ARG A 29 1.639 -6.244 -9.122 1.00 34.31 H new ATOM 0 HA ARG A 29 0.046 -7.377 -11.276 1.00 71.30 H new ATOM 0 HB2 ARG A 29 0.594 -8.358 -8.424 1.00 41.11 H new ATOM 0 HB3 ARG A 29 -0.181 -9.305 -9.677 1.00 41.11 H new ATOM 0 HG2 ARG A 29 1.936 -9.235 -11.019 1.00 3.13 H new ATOM 0 HG3 ARG A 29 2.706 -8.324 -9.735 1.00 3.13 H new ATOM 0 HD2 ARG A 29 3.324 -10.681 -9.519 1.00 61.20 H new ATOM 0 HD3 ARG A 29 2.326 -10.225 -8.153 1.00 61.20 H new ATOM 0 HE ARG A 29 0.482 -11.497 -9.056 1.00 33.43 H new ATOM 0 HH11 ARG A 29 3.418 -11.804 -10.976 1.00 61.53 H new ATOM 0 HH12 ARG A 29 2.857 -13.286 -11.757 1.00 61.53 H new ATOM 0 HH21 ARG A 29 -0.174 -13.345 -10.063 1.00 44.51 H new ATOM 0 HH22 ARG A 29 0.867 -14.138 -11.251 1.00 44.51 H new ATOM 445 N TRP A 30 -1.409 -6.002 -8.651 1.00 14.21 N ATOM 446 CA TRP A 30 -2.710 -5.621 -8.016 1.00 42.40 C ATOM 447 C TRP A 30 -2.988 -4.110 -8.138 1.00 42.22 C ATOM 448 O TRP A 30 -4.144 -3.691 -8.281 1.00 10.54 O ATOM 449 CB TRP A 30 -2.741 -6.044 -6.526 1.00 53.23 C ATOM 450 CG TRP A 30 -1.661 -5.439 -5.649 1.00 55.10 C ATOM 451 CD1 TRP A 30 -0.364 -5.853 -5.535 1.00 3.21 C ATOM 452 CD2 TRP A 30 -1.797 -4.329 -4.742 1.00 1.32 C ATOM 453 NE1 TRP A 30 0.300 -5.068 -4.636 1.00 32.14 N ATOM 454 CE2 TRP A 30 -0.553 -4.132 -4.135 1.00 42.44 C ATOM 455 CE3 TRP A 30 -2.853 -3.488 -4.391 1.00 2.52 C ATOM 456 CZ2 TRP A 30 -0.327 -3.130 -3.196 1.00 52.41 C ATOM 457 CZ3 TRP A 30 -2.633 -2.494 -3.459 1.00 64.23 C ATOM 458 CH2 TRP A 30 -1.376 -2.322 -2.871 1.00 61.42 C ATOM 0 H TRP A 30 -0.598 -5.551 -8.228 1.00 14.21 H new ATOM 0 HA TRP A 30 -3.495 -6.153 -8.554 1.00 42.40 H new ATOM 0 HB2 TRP A 30 -3.713 -5.776 -6.111 1.00 53.23 H new ATOM 0 HB3 TRP A 30 -2.660 -7.130 -6.474 1.00 53.23 H new ATOM 0 HD1 TRP A 30 0.072 -6.680 -6.076 1.00 3.21 H new ATOM 0 HE1 TRP A 30 1.282 -5.167 -4.380 1.00 32.14 H new ATOM 0 HE3 TRP A 30 -3.827 -3.613 -4.841 1.00 2.52 H new ATOM 0 HZ2 TRP A 30 0.644 -2.997 -2.741 1.00 52.41 H new ATOM 0 HZ3 TRP A 30 -3.445 -1.839 -3.179 1.00 64.23 H new ATOM 0 HH2 TRP A 30 -1.233 -1.534 -2.146 1.00 61.42 H new ATOM 469 N HIS A 31 -1.920 -3.303 -8.057 1.00 14.14 N ATOM 470 CA HIS A 31 -1.999 -1.838 -8.146 1.00 20.20 C ATOM 471 C HIS A 31 -1.834 -1.402 -9.630 1.00 51.04 C ATOM 472 O HIS A 31 -0.728 -1.507 -10.182 1.00 22.21 O ATOM 473 CB HIS A 31 -0.922 -1.194 -7.255 1.00 31.13 C ATOM 474 CG HIS A 31 -1.138 0.267 -7.003 1.00 15.53 C ATOM 475 ND1 HIS A 31 -0.708 1.231 -7.880 1.00 24.21 N ATOM 476 CD2 HIS A 31 -1.745 0.862 -5.962 1.00 21.24 C ATOM 477 CE1 HIS A 31 -1.060 2.377 -7.344 1.00 12.13 C ATOM 478 NE2 HIS A 31 -1.688 2.204 -6.183 1.00 40.32 N ATOM 0 H HIS A 31 -0.970 -3.651 -7.927 1.00 14.14 H new ATOM 0 HA HIS A 31 -2.972 -1.501 -7.790 1.00 20.20 H new ATOM 0 HB2 HIS A 31 -0.894 -1.717 -6.299 1.00 31.13 H new ATOM 0 HB3 HIS A 31 0.053 -1.332 -7.723 1.00 31.13 H new ATOM 0 HD2 HIS A 31 -2.193 0.369 -5.112 1.00 21.24 H new ATOM 0 HE1 HIS A 31 -0.864 3.341 -7.790 1.00 12.13 H new ATOM 0 HE2 HIS A 31 -2.056 2.936 -5.576 1.00 40.32 H new ATOM 486 N PRO A 32 -2.935 -0.934 -10.307 1.00 73.41 N ATOM 487 CA PRO A 32 -2.941 -0.664 -11.783 1.00 75.41 C ATOM 488 C PRO A 32 -2.001 0.489 -12.237 1.00 4.52 C ATOM 489 O PRO A 32 -1.644 0.578 -13.419 1.00 72.44 O ATOM 490 CB PRO A 32 -4.430 -0.307 -12.060 1.00 24.51 C ATOM 491 CG PRO A 32 -4.942 0.200 -10.748 1.00 73.41 C ATOM 492 CD PRO A 32 -4.263 -0.642 -9.700 1.00 65.33 C ATOM 0 HA PRO A 32 -2.563 -1.521 -12.340 1.00 75.41 H new ATOM 0 HB2 PRO A 32 -4.519 0.449 -12.840 1.00 24.51 H new ATOM 0 HB3 PRO A 32 -4.992 -1.179 -12.396 1.00 24.51 H new ATOM 0 HG2 PRO A 32 -4.707 1.256 -10.616 1.00 73.41 H new ATOM 0 HG3 PRO A 32 -6.026 0.105 -10.686 1.00 73.41 H new ATOM 0 HD2 PRO A 32 -4.165 -0.107 -8.755 1.00 65.33 H new ATOM 0 HD3 PRO A 32 -4.821 -1.555 -9.493 1.00 65.33 H new ATOM 500 N GLN A 33 -1.606 1.356 -11.295 1.00 74.11 N ATOM 501 CA GLN A 33 -0.872 2.612 -11.599 1.00 31.32 C ATOM 502 C GLN A 33 0.659 2.471 -11.440 1.00 72.02 C ATOM 503 O GLN A 33 1.390 3.446 -11.642 1.00 34.43 O ATOM 504 CB GLN A 33 -1.436 3.735 -10.696 1.00 0.25 C ATOM 505 CG GLN A 33 -2.910 4.113 -11.015 1.00 75.11 C ATOM 506 CD GLN A 33 -3.702 4.662 -9.824 1.00 71.45 C ATOM 507 OE1 GLN A 33 -4.567 5.516 -9.978 1.00 50.45 O ATOM 508 NE2 GLN A 33 -3.476 4.117 -8.641 1.00 60.13 N ATOM 0 H GLN A 33 -1.781 1.216 -10.300 1.00 74.11 H new ATOM 0 HA GLN A 33 -1.028 2.860 -12.649 1.00 31.32 H new ATOM 0 HB2 GLN A 33 -1.368 3.420 -9.655 1.00 0.25 H new ATOM 0 HB3 GLN A 33 -0.812 4.622 -10.802 1.00 0.25 H new ATOM 0 HG2 GLN A 33 -2.916 4.857 -11.812 1.00 75.11 H new ATOM 0 HG3 GLN A 33 -3.422 3.231 -11.399 1.00 75.11 H new ATOM 0 HE21 GLN A 33 -2.751 3.408 -8.536 1.00 60.13 H new ATOM 0 HE22 GLN A 33 -4.027 4.406 -7.833 1.00 60.13 H new ATOM 517 N VAL A 34 1.137 1.272 -11.073 1.00 50.51 N ATOM 518 CA VAL A 34 2.582 0.975 -11.039 1.00 62.55 C ATOM 519 C VAL A 34 3.128 0.694 -12.462 1.00 63.35 C ATOM 520 O VAL A 34 2.722 -0.274 -13.117 1.00 2.03 O ATOM 521 CB VAL A 34 2.874 -0.243 -10.108 1.00 23.44 C ATOM 522 CG1 VAL A 34 4.383 -0.569 -10.054 1.00 40.24 C ATOM 523 CG2 VAL A 34 2.307 0.013 -8.697 1.00 74.54 C ATOM 0 H VAL A 34 0.545 0.490 -10.795 1.00 50.51 H new ATOM 0 HA VAL A 34 3.090 1.853 -10.641 1.00 62.55 H new ATOM 0 HB VAL A 34 2.373 -1.116 -10.527 1.00 23.44 H new ATOM 0 HG11 VAL A 34 4.548 -1.422 -9.396 1.00 40.24 H new ATOM 0 HG12 VAL A 34 4.739 -0.809 -11.056 1.00 40.24 H new ATOM 0 HG13 VAL A 34 4.928 0.294 -9.672 1.00 40.24 H new ATOM 0 HG21 VAL A 34 2.518 -0.845 -8.059 1.00 74.54 H new ATOM 0 HG22 VAL A 34 2.772 0.903 -8.274 1.00 74.54 H new ATOM 0 HG23 VAL A 34 1.229 0.162 -8.760 1.00 74.54 H new ATOM 533 N SER A 35 4.067 1.544 -12.917 1.00 21.52 N ATOM 534 CA SER A 35 4.702 1.426 -14.254 1.00 12.51 C ATOM 535 C SER A 35 5.989 0.564 -14.209 1.00 10.54 C ATOM 536 O SER A 35 7.043 0.975 -14.701 1.00 55.01 O ATOM 537 CB SER A 35 5.010 2.836 -14.802 1.00 32.13 C ATOM 538 OG SER A 35 3.829 3.608 -14.941 1.00 4.35 O ATOM 0 H SER A 35 4.411 2.334 -12.372 1.00 21.52 H new ATOM 0 HA SER A 35 4.003 0.920 -14.920 1.00 12.51 H new ATOM 0 HB2 SER A 35 5.702 3.345 -14.131 1.00 32.13 H new ATOM 0 HB3 SER A 35 5.507 2.752 -15.769 1.00 32.13 H new ATOM 0 HG SER A 35 4.057 4.496 -15.288 1.00 4.35 H new ATOM 544 N ALA A 36 5.859 -0.643 -13.621 1.00 31.15 N ATOM 545 CA ALA A 36 6.945 -1.662 -13.510 1.00 42.22 C ATOM 546 C ALA A 36 8.206 -1.137 -12.743 1.00 42.52 C ATOM 547 O ALA A 36 9.047 -0.437 -13.317 1.00 24.44 O ATOM 548 CB ALA A 36 7.314 -2.219 -14.899 1.00 0.11 C ATOM 0 H ALA A 36 4.983 -0.951 -13.199 1.00 31.15 H new ATOM 0 HA ALA A 36 6.550 -2.479 -12.905 1.00 42.22 H new ATOM 0 HB1 ALA A 36 8.107 -2.960 -14.795 1.00 0.11 H new ATOM 0 HB2 ALA A 36 6.438 -2.686 -15.348 1.00 0.11 H new ATOM 0 HB3 ALA A 36 7.659 -1.406 -15.537 1.00 0.11 H new ATOM 554 N PRO A 37 8.361 -1.482 -11.425 1.00 62.23 N ATOM 555 CA PRO A 37 9.427 -0.910 -10.563 1.00 32.22 C ATOM 556 C PRO A 37 10.847 -1.517 -10.789 1.00 3.23 C ATOM 557 O PRO A 37 10.998 -2.697 -11.115 1.00 62.25 O ATOM 558 CB PRO A 37 8.894 -1.199 -9.147 1.00 61.23 C ATOM 559 CG PRO A 37 8.098 -2.461 -9.274 1.00 55.23 C ATOM 560 CD PRO A 37 7.520 -2.456 -10.678 1.00 0.14 C ATOM 0 HA PRO A 37 9.596 0.146 -10.776 1.00 32.22 H new ATOM 0 HB2 PRO A 37 9.711 -1.320 -8.436 1.00 61.23 H new ATOM 0 HB3 PRO A 37 8.275 -0.378 -8.785 1.00 61.23 H new ATOM 0 HG2 PRO A 37 8.728 -3.336 -9.115 1.00 55.23 H new ATOM 0 HG3 PRO A 37 7.305 -2.499 -8.527 1.00 55.23 H new ATOM 0 HD2 PRO A 37 7.565 -3.447 -11.129 1.00 0.14 H new ATOM 0 HD3 PRO A 37 6.472 -2.155 -10.675 1.00 0.14 H new ATOM 568 N THR A 38 11.879 -0.668 -10.607 1.00 31.12 N ATOM 569 CA THR A 38 13.311 -1.048 -10.703 1.00 43.31 C ATOM 570 C THR A 38 13.911 -1.118 -9.287 1.00 42.11 C ATOM 571 O THR A 38 13.909 -0.116 -8.574 1.00 73.20 O ATOM 572 CB THR A 38 14.109 -0.001 -11.551 1.00 74.14 C ATOM 573 OG1 THR A 38 13.515 0.119 -12.854 1.00 32.22 O ATOM 574 CG2 THR A 38 15.606 -0.370 -11.697 1.00 41.31 C ATOM 0 H THR A 38 11.743 0.318 -10.385 1.00 31.12 H new ATOM 0 HA THR A 38 13.383 -2.019 -11.192 1.00 43.31 H new ATOM 0 HB THR A 38 14.059 0.950 -11.020 1.00 74.14 H new ATOM 0 HG1 THR A 38 14.015 0.776 -13.382 1.00 32.22 H new ATOM 0 HG21 THR A 38 16.111 0.389 -12.294 1.00 41.31 H new ATOM 0 HG22 THR A 38 16.066 -0.422 -10.710 1.00 41.31 H new ATOM 0 HG23 THR A 38 15.696 -1.338 -12.190 1.00 41.31 H new ATOM 582 N LEU A 39 14.436 -2.286 -8.894 1.00 30.30 N ATOM 583 CA LEU A 39 14.861 -2.547 -7.494 1.00 23.41 C ATOM 584 C LEU A 39 16.354 -2.231 -7.270 1.00 54.11 C ATOM 585 O LEU A 39 17.228 -2.707 -8.004 1.00 3.10 O ATOM 586 CB LEU A 39 14.518 -4.011 -7.070 1.00 22.12 C ATOM 587 CG LEU A 39 13.058 -4.249 -6.568 1.00 12.53 C ATOM 588 CD1 LEU A 39 12.791 -3.485 -5.253 1.00 32.10 C ATOM 589 CD2 LEU A 39 12.016 -3.888 -7.651 1.00 20.11 C ATOM 0 H LEU A 39 14.581 -3.076 -9.523 1.00 30.30 H new ATOM 0 HA LEU A 39 14.297 -1.869 -6.854 1.00 23.41 H new ATOM 0 HB2 LEU A 39 14.701 -4.668 -7.920 1.00 22.12 H new ATOM 0 HB3 LEU A 39 15.207 -4.312 -6.281 1.00 22.12 H new ATOM 0 HG LEU A 39 12.952 -5.314 -6.362 1.00 12.53 H new ATOM 0 HD11 LEU A 39 11.767 -3.669 -4.927 1.00 32.10 H new ATOM 0 HD12 LEU A 39 13.484 -3.829 -4.485 1.00 32.10 H new ATOM 0 HD13 LEU A 39 12.933 -2.417 -5.417 1.00 32.10 H new ATOM 0 HD21 LEU A 39 11.013 -4.067 -7.265 1.00 20.11 H new ATOM 0 HD22 LEU A 39 12.119 -2.837 -7.919 1.00 20.11 H new ATOM 0 HD23 LEU A 39 12.180 -4.506 -8.534 1.00 20.11 H new ATOM 601 N ARG A 40 16.621 -1.410 -6.236 1.00 51.25 N ATOM 602 CA ARG A 40 17.975 -0.956 -5.870 1.00 71.03 C ATOM 603 C ARG A 40 18.374 -1.497 -4.477 1.00 14.31 C ATOM 604 O ARG A 40 17.714 -1.195 -3.479 1.00 13.21 O ATOM 605 CB ARG A 40 18.029 0.604 -5.911 1.00 55.45 C ATOM 606 CG ARG A 40 17.750 1.215 -7.306 1.00 52.32 C ATOM 607 CD ARG A 40 18.763 0.731 -8.356 1.00 30.44 C ATOM 608 NE ARG A 40 18.505 1.268 -9.702 1.00 44.43 N ATOM 609 CZ ARG A 40 19.373 1.258 -10.695 1.00 2.44 C ATOM 610 NH1 ARG A 40 20.592 0.829 -10.525 1.00 52.11 N ATOM 611 NH2 ARG A 40 19.014 1.697 -11.851 1.00 13.23 N ATOM 0 H ARG A 40 15.893 -1.040 -5.625 1.00 51.25 H new ATOM 0 HA ARG A 40 18.694 -1.348 -6.589 1.00 71.03 H new ATOM 0 HB2 ARG A 40 17.302 1.000 -5.202 1.00 55.45 H new ATOM 0 HB3 ARG A 40 19.013 0.931 -5.574 1.00 55.45 H new ATOM 0 HG2 ARG A 40 16.742 0.949 -7.624 1.00 52.32 H new ATOM 0 HG3 ARG A 40 17.787 2.302 -7.240 1.00 52.32 H new ATOM 0 HD2 ARG A 40 19.767 1.019 -8.043 1.00 30.44 H new ATOM 0 HD3 ARG A 40 18.742 -0.358 -8.396 1.00 30.44 H new ATOM 0 HE ARG A 40 17.588 1.678 -9.880 1.00 44.43 H new ATOM 0 HH11 ARG A 40 20.891 0.492 -9.610 1.00 52.11 H new ATOM 0 HH12 ARG A 40 21.247 0.830 -11.307 1.00 52.11 H new ATOM 0 HH21 ARG A 40 18.067 2.048 -11.992 1.00 13.23 H new ATOM 0 HH22 ARG A 40 19.677 1.694 -12.626 1.00 13.23 H new ATOM 625 N GLY A 41 19.512 -2.223 -4.430 1.00 32.41 N ATOM 626 CA GLY A 41 19.970 -2.996 -3.255 1.00 60.44 C ATOM 627 C GLY A 41 18.929 -3.892 -2.546 1.00 21.34 C ATOM 628 O GLY A 41 17.765 -3.981 -2.955 1.00 33.21 O ATOM 0 H GLY A 41 20.150 -2.289 -5.223 1.00 32.41 H new ATOM 0 HA2 GLY A 41 20.800 -3.628 -3.570 1.00 60.44 H new ATOM 0 HA3 GLY A 41 20.365 -2.293 -2.522 1.00 60.44 H new ATOM 632 N ALA A 42 19.405 -4.605 -1.499 1.00 70.10 N ATOM 633 CA ALA A 42 18.587 -5.490 -0.635 1.00 63.20 C ATOM 634 C ALA A 42 17.766 -6.550 -1.448 1.00 1.24 C ATOM 635 O ALA A 42 18.369 -7.380 -2.145 1.00 60.22 O ATOM 636 CB ALA A 42 17.727 -4.637 0.324 1.00 43.24 C ATOM 0 H ALA A 42 20.387 -4.581 -1.225 1.00 70.10 H new ATOM 0 HA ALA A 42 19.260 -6.092 -0.024 1.00 63.20 H new ATOM 0 HB1 ALA A 42 17.128 -5.293 0.956 1.00 43.24 H new ATOM 0 HB2 ALA A 42 18.377 -4.025 0.949 1.00 43.24 H new ATOM 0 HB3 ALA A 42 17.068 -3.991 -0.256 1.00 43.24 H new ATOM 642 N SER A 43 16.410 -6.518 -1.360 1.00 52.41 N ATOM 643 CA SER A 43 15.500 -7.417 -2.128 1.00 24.10 C ATOM 644 C SER A 43 14.020 -7.008 -1.860 1.00 61.20 C ATOM 645 O SER A 43 13.754 -6.301 -0.879 1.00 74.43 O ATOM 646 CB SER A 43 15.704 -8.922 -1.747 1.00 65.34 C ATOM 647 OG SER A 43 15.011 -9.285 -0.564 1.00 30.55 O ATOM 0 H SER A 43 15.913 -5.866 -0.753 1.00 52.41 H new ATOM 0 HA SER A 43 15.738 -7.308 -3.186 1.00 24.10 H new ATOM 0 HB2 SER A 43 15.364 -9.550 -2.570 1.00 65.34 H new ATOM 0 HB3 SER A 43 16.768 -9.118 -1.615 1.00 65.34 H new ATOM 0 HG SER A 43 15.103 -10.249 -0.414 1.00 30.55 H new ATOM 653 N PRO A 44 13.021 -7.431 -2.714 1.00 53.24 N ATOM 654 CA PRO A 44 11.563 -7.180 -2.449 1.00 63.02 C ATOM 655 C PRO A 44 11.011 -7.808 -1.123 1.00 21.35 C ATOM 656 O PRO A 44 9.846 -7.607 -0.779 1.00 40.31 O ATOM 657 CB PRO A 44 10.866 -7.795 -3.696 1.00 11.15 C ATOM 658 CG PRO A 44 11.873 -8.746 -4.268 1.00 63.55 C ATOM 659 CD PRO A 44 13.212 -8.101 -4.027 1.00 43.42 C ATOM 0 HA PRO A 44 11.375 -6.116 -2.303 1.00 63.02 H new ATOM 0 HB2 PRO A 44 9.946 -8.311 -3.421 1.00 11.15 H new ATOM 0 HB3 PRO A 44 10.595 -7.025 -4.418 1.00 11.15 H new ATOM 0 HG2 PRO A 44 11.813 -9.720 -3.783 1.00 63.55 H new ATOM 0 HG3 PRO A 44 11.701 -8.908 -5.332 1.00 63.55 H new ATOM 0 HD2 PRO A 44 14.015 -8.837 -3.993 1.00 43.42 H new ATOM 0 HD3 PRO A 44 13.465 -7.388 -4.812 1.00 43.42 H new ATOM 667 N HIS A 45 11.838 -8.595 -0.403 1.00 32.54 N ATOM 668 CA HIS A 45 11.500 -9.102 0.955 1.00 61.10 C ATOM 669 C HIS A 45 12.508 -8.610 2.034 1.00 31.34 C ATOM 670 O HIS A 45 12.267 -8.792 3.232 1.00 12.32 O ATOM 671 CB HIS A 45 11.417 -10.651 0.956 1.00 11.53 C ATOM 672 CG HIS A 45 10.279 -11.212 0.132 1.00 64.15 C ATOM 673 ND1 HIS A 45 8.994 -10.713 0.199 1.00 73.53 N ATOM 674 CD2 HIS A 45 10.220 -12.257 -0.734 1.00 35.23 C ATOM 675 CE1 HIS A 45 8.203 -11.423 -0.573 1.00 71.21 C ATOM 676 NE2 HIS A 45 8.915 -12.362 -1.152 1.00 15.34 N ATOM 0 H HIS A 45 12.753 -8.898 -0.738 1.00 32.54 H new ATOM 0 HA HIS A 45 10.523 -8.695 1.215 1.00 61.10 H new ATOM 0 HB2 HIS A 45 12.357 -11.054 0.579 1.00 11.53 H new ATOM 0 HB3 HIS A 45 11.311 -10.997 1.984 1.00 11.53 H new ATOM 0 HD2 HIS A 45 11.043 -12.887 -1.037 1.00 35.23 H new ATOM 0 HE1 HIS A 45 7.144 -11.261 -0.709 1.00 71.21 H new ATOM 0 HE2 HIS A 45 8.557 -13.057 -1.807 1.00 15.34 H new ATOM 685 N THR A 46 13.635 -8.003 1.611 1.00 31.22 N ATOM 686 CA THR A 46 14.667 -7.461 2.542 1.00 31.30 C ATOM 687 C THR A 46 14.504 -5.926 2.737 1.00 70.21 C ATOM 688 O THR A 46 14.540 -5.173 1.750 1.00 31.53 O ATOM 689 CB THR A 46 16.122 -7.762 2.030 1.00 12.44 C ATOM 690 OG1 THR A 46 16.337 -9.178 1.942 1.00 23.24 O ATOM 691 CG2 THR A 46 17.209 -7.158 2.929 1.00 51.15 C ATOM 0 H THR A 46 13.862 -7.871 0.625 1.00 31.22 H new ATOM 0 HA THR A 46 14.517 -7.962 3.498 1.00 31.30 H new ATOM 0 HB THR A 46 16.200 -7.298 1.047 1.00 12.44 H new ATOM 0 HG1 THR A 46 15.950 -9.516 1.108 1.00 23.24 H new ATOM 0 HG21 THR A 46 18.192 -7.400 2.524 1.00 51.15 H new ATOM 0 HG22 THR A 46 17.089 -6.075 2.968 1.00 51.15 H new ATOM 0 HG23 THR A 46 17.120 -7.569 3.934 1.00 51.15 H new ATOM 699 N PRO A 47 14.309 -5.438 4.012 1.00 43.35 N ATOM 700 CA PRO A 47 14.236 -3.981 4.330 1.00 45.32 C ATOM 701 C PRO A 47 15.491 -3.193 3.853 1.00 70.05 C ATOM 702 O PRO A 47 16.607 -3.419 4.340 1.00 5.04 O ATOM 703 CB PRO A 47 14.088 -3.954 5.881 1.00 33.15 C ATOM 704 CG PRO A 47 14.528 -5.314 6.339 1.00 72.43 C ATOM 705 CD PRO A 47 14.116 -6.260 5.241 1.00 35.23 C ATOM 0 HA PRO A 47 13.411 -3.490 3.814 1.00 45.32 H new ATOM 0 HB2 PRO A 47 14.704 -3.171 6.322 1.00 33.15 H new ATOM 0 HB3 PRO A 47 13.058 -3.753 6.175 1.00 33.15 H new ATOM 0 HG2 PRO A 47 15.606 -5.345 6.500 1.00 72.43 H new ATOM 0 HG3 PRO A 47 14.057 -5.581 7.285 1.00 72.43 H new ATOM 0 HD2 PRO A 47 14.733 -7.159 5.228 1.00 35.23 H new ATOM 0 HD3 PRO A 47 13.082 -6.585 5.353 1.00 35.23 H new ATOM 713 N GLY A 48 15.289 -2.294 2.871 1.00 31.03 N ATOM 714 CA GLY A 48 16.369 -1.462 2.315 1.00 21.40 C ATOM 715 C GLY A 48 16.225 -1.214 0.812 1.00 72.12 C ATOM 716 O GLY A 48 16.766 -0.232 0.291 1.00 64.42 O ATOM 0 H GLY A 48 14.378 -2.126 2.444 1.00 31.03 H new ATOM 0 HA2 GLY A 48 16.385 -0.504 2.835 1.00 21.40 H new ATOM 0 HA3 GLY A 48 17.327 -1.945 2.507 1.00 21.40 H new ATOM 720 N ALA A 49 15.486 -2.107 0.120 1.00 34.22 N ATOM 721 CA ALA A 49 15.309 -2.058 -1.354 1.00 3.52 C ATOM 722 C ALA A 49 14.510 -0.821 -1.818 1.00 21.51 C ATOM 723 O ALA A 49 13.549 -0.427 -1.169 1.00 55.22 O ATOM 724 CB ALA A 49 14.615 -3.337 -1.836 1.00 15.11 C ATOM 0 H ALA A 49 14.994 -2.883 0.563 1.00 34.22 H new ATOM 0 HA ALA A 49 16.303 -1.981 -1.795 1.00 3.52 H new ATOM 0 HB1 ALA A 49 14.487 -3.296 -2.918 1.00 15.11 H new ATOM 0 HB2 ALA A 49 15.224 -4.202 -1.575 1.00 15.11 H new ATOM 0 HB3 ALA A 49 13.639 -3.423 -1.359 1.00 15.11 H new ATOM 730 N GLU A 50 14.910 -0.226 -2.955 1.00 71.23 N ATOM 731 CA GLU A 50 14.224 0.954 -3.540 1.00 31.03 C ATOM 732 C GLU A 50 13.591 0.576 -4.897 1.00 43.41 C ATOM 733 O GLU A 50 14.307 0.244 -5.835 1.00 74.13 O ATOM 734 CB GLU A 50 15.235 2.123 -3.727 1.00 0.11 C ATOM 735 CG GLU A 50 15.962 2.543 -2.434 1.00 65.53 C ATOM 736 CD GLU A 50 16.974 3.684 -2.629 1.00 73.55 C ATOM 737 OE1 GLU A 50 18.166 3.401 -2.914 1.00 34.13 O ATOM 738 OE2 GLU A 50 16.590 4.866 -2.491 1.00 1.40 O ATOM 0 H GLU A 50 15.714 -0.543 -3.497 1.00 71.23 H new ATOM 0 HA GLU A 50 13.436 1.278 -2.860 1.00 31.03 H new ATOM 0 HB2 GLU A 50 15.978 1.831 -4.469 1.00 0.11 H new ATOM 0 HB3 GLU A 50 14.705 2.986 -4.129 1.00 0.11 H new ATOM 0 HG2 GLU A 50 15.221 2.850 -1.696 1.00 65.53 H new ATOM 0 HG3 GLU A 50 16.481 1.677 -2.023 1.00 65.53 H new ATOM 745 N ARG A 51 12.252 0.634 -4.991 1.00 21.35 N ATOM 746 CA ARG A 51 11.510 0.355 -6.239 1.00 11.34 C ATOM 747 C ARG A 51 11.255 1.676 -7.015 1.00 2.32 C ATOM 748 O ARG A 51 10.708 2.633 -6.464 1.00 4.22 O ATOM 749 CB ARG A 51 10.182 -0.405 -5.915 1.00 22.32 C ATOM 750 CG ARG A 51 9.092 0.407 -5.175 1.00 50.23 C ATOM 751 CD ARG A 51 7.818 -0.411 -4.901 1.00 15.33 C ATOM 752 NE ARG A 51 6.757 0.394 -4.263 1.00 33.11 N ATOM 753 CZ ARG A 51 5.772 -0.079 -3.524 1.00 32.52 C ATOM 754 NH1 ARG A 51 5.685 -1.347 -3.235 1.00 60.12 N ATOM 755 NH2 ARG A 51 4.870 0.734 -3.081 1.00 23.04 N ATOM 0 H ARG A 51 11.650 0.876 -4.204 1.00 21.35 H new ATOM 0 HA ARG A 51 12.107 -0.291 -6.883 1.00 11.34 H new ATOM 0 HB2 ARG A 51 9.760 -0.771 -6.851 1.00 22.32 H new ATOM 0 HB3 ARG A 51 10.426 -1.279 -5.312 1.00 22.32 H new ATOM 0 HG2 ARG A 51 9.495 0.769 -4.229 1.00 50.23 H new ATOM 0 HG3 ARG A 51 8.834 1.284 -5.768 1.00 50.23 H new ATOM 0 HD2 ARG A 51 7.444 -0.821 -5.839 1.00 15.33 H new ATOM 0 HD3 ARG A 51 8.064 -1.257 -4.259 1.00 15.33 H new ATOM 0 HE ARG A 51 6.789 1.403 -4.406 1.00 33.11 H new ATOM 0 HH11 ARG A 51 6.389 -1.999 -3.582 1.00 60.12 H new ATOM 0 HH12 ARG A 51 4.913 -1.688 -2.661 1.00 60.12 H new ATOM 0 HH21 ARG A 51 4.925 1.728 -3.304 1.00 23.04 H new ATOM 0 HH22 ARG A 51 4.103 0.382 -2.508 1.00 23.04 H new ATOM 769 N VAL A 52 11.699 1.742 -8.287 1.00 2.35 N ATOM 770 CA VAL A 52 11.599 2.967 -9.122 1.00 74.54 C ATOM 771 C VAL A 52 10.730 2.690 -10.379 1.00 53.22 C ATOM 772 O VAL A 52 11.165 1.987 -11.297 1.00 12.30 O ATOM 773 CB VAL A 52 13.023 3.487 -9.551 1.00 70.25 C ATOM 774 CG1 VAL A 52 12.923 4.876 -10.232 1.00 51.31 C ATOM 775 CG2 VAL A 52 14.010 3.522 -8.351 1.00 51.34 C ATOM 0 H VAL A 52 12.135 0.955 -8.766 1.00 2.35 H new ATOM 0 HA VAL A 52 11.124 3.743 -8.522 1.00 74.54 H new ATOM 0 HB VAL A 52 13.423 2.780 -10.278 1.00 70.25 H new ATOM 0 HG11 VAL A 52 13.919 5.213 -10.519 1.00 51.31 H new ATOM 0 HG12 VAL A 52 12.295 4.801 -11.120 1.00 51.31 H new ATOM 0 HG13 VAL A 52 12.484 5.591 -9.537 1.00 51.31 H new ATOM 0 HG21 VAL A 52 14.980 3.886 -8.689 1.00 51.34 H new ATOM 0 HG22 VAL A 52 13.621 4.187 -7.579 1.00 51.34 H new ATOM 0 HG23 VAL A 52 14.122 2.518 -7.942 1.00 51.34 H new ATOM 785 N PHE A 53 9.513 3.253 -10.405 1.00 54.11 N ATOM 786 CA PHE A 53 8.486 2.949 -11.439 1.00 73.14 C ATOM 787 C PHE A 53 8.906 3.441 -12.853 1.00 40.33 C ATOM 788 O PHE A 53 8.818 4.628 -13.161 1.00 52.21 O ATOM 789 CB PHE A 53 7.122 3.571 -11.024 1.00 4.30 C ATOM 790 CG PHE A 53 6.488 3.017 -9.733 1.00 2.25 C ATOM 791 CD1 PHE A 53 7.094 2.010 -8.974 1.00 61.15 C ATOM 792 CD2 PHE A 53 5.262 3.509 -9.286 1.00 35.11 C ATOM 793 CE1 PHE A 53 6.500 1.524 -7.829 1.00 13.40 C ATOM 794 CE2 PHE A 53 4.671 3.020 -8.139 1.00 1.51 C ATOM 795 CZ PHE A 53 5.289 2.027 -7.412 1.00 43.31 C ATOM 0 H PHE A 53 9.203 3.935 -9.713 1.00 54.11 H new ATOM 0 HA PHE A 53 8.388 1.865 -11.500 1.00 73.14 H new ATOM 0 HB2 PHE A 53 7.257 4.646 -10.906 1.00 4.30 H new ATOM 0 HB3 PHE A 53 6.416 3.427 -11.842 1.00 4.30 H new ATOM 0 HD1 PHE A 53 8.044 1.606 -9.291 1.00 61.15 H new ATOM 0 HD2 PHE A 53 4.766 4.287 -9.848 1.00 35.11 H new ATOM 0 HE1 PHE A 53 6.986 0.747 -7.258 1.00 13.40 H new ATOM 0 HE2 PHE A 53 3.722 3.417 -7.811 1.00 1.51 H new ATOM 0 HZ PHE A 53 4.824 1.644 -6.516 1.00 43.31 H new ATOM 805 N GLY A 54 9.374 2.504 -13.696 1.00 63.11 N ATOM 806 CA GLY A 54 9.865 2.817 -15.046 1.00 40.45 C ATOM 807 C GLY A 54 11.362 3.138 -15.060 1.00 23.51 C ATOM 808 O GLY A 54 12.169 2.334 -15.544 1.00 63.22 O ATOM 0 H GLY A 54 9.422 1.513 -13.460 1.00 63.11 H new ATOM 0 HA2 GLY A 54 9.671 1.971 -15.706 1.00 40.45 H new ATOM 0 HA3 GLY A 54 9.310 3.666 -15.444 1.00 40.45 H new ATOM 812 N ALA A 55 11.711 4.324 -14.502 1.00 42.21 N ATOM 813 CA ALA A 55 13.105 4.851 -14.403 1.00 5.45 C ATOM 814 C ALA A 55 13.711 5.230 -15.789 1.00 12.12 C ATOM 815 O ALA A 55 13.566 4.499 -16.776 1.00 4.44 O ATOM 816 CB ALA A 55 14.031 3.891 -13.629 1.00 22.13 C ATOM 0 H ALA A 55 11.021 4.957 -14.099 1.00 42.21 H new ATOM 0 HA ALA A 55 13.035 5.776 -13.831 1.00 5.45 H new ATOM 0 HB1 ALA A 55 15.035 4.313 -13.581 1.00 22.13 H new ATOM 0 HB2 ALA A 55 13.647 3.751 -12.618 1.00 22.13 H new ATOM 0 HB3 ALA A 55 14.066 2.929 -14.140 1.00 22.13 H new ATOM 822 N GLY A 56 14.397 6.386 -15.844 1.00 31.44 N ATOM 823 CA GLY A 56 14.945 6.926 -17.108 1.00 13.44 C ATOM 824 C GLY A 56 13.888 7.686 -17.920 1.00 62.30 C ATOM 825 O GLY A 56 14.035 7.901 -19.128 1.00 62.32 O ATOM 0 H GLY A 56 14.587 6.967 -15.028 1.00 31.44 H new ATOM 0 HA2 GLY A 56 15.778 7.593 -16.885 1.00 13.44 H new ATOM 0 HA3 GLY A 56 15.343 6.108 -17.708 1.00 13.44 H new ATOM 829 N THR A 57 12.823 8.091 -17.216 1.00 12.14 N ATOM 830 CA THR A 57 11.640 8.780 -17.769 1.00 33.21 C ATOM 831 C THR A 57 11.504 10.197 -17.142 1.00 5.03 C ATOM 832 O THR A 57 12.479 10.758 -16.636 1.00 33.31 O ATOM 833 CB THR A 57 10.352 7.934 -17.446 1.00 23.21 C ATOM 834 OG1 THR A 57 10.142 7.865 -16.019 1.00 0.20 O ATOM 835 CG2 THR A 57 10.425 6.504 -18.011 1.00 42.50 C ATOM 0 H THR A 57 12.755 7.945 -16.209 1.00 12.14 H new ATOM 0 HA THR A 57 11.754 8.882 -18.848 1.00 33.21 H new ATOM 0 HB THR A 57 9.518 8.443 -17.928 1.00 23.21 H new ATOM 0 HG1 THR A 57 9.337 7.338 -15.832 1.00 0.20 H new ATOM 0 HG21 THR A 57 9.511 5.966 -17.759 1.00 42.50 H new ATOM 0 HG22 THR A 57 10.534 6.546 -19.095 1.00 42.50 H new ATOM 0 HG23 THR A 57 11.282 5.986 -17.580 1.00 42.50 H new ATOM 843 N GLU A 58 10.293 10.780 -17.217 1.00 24.41 N ATOM 844 CA GLU A 58 9.919 12.010 -16.469 1.00 12.02 C ATOM 845 C GLU A 58 8.801 11.699 -15.431 1.00 12.21 C ATOM 846 O GLU A 58 8.297 12.608 -14.761 1.00 42.22 O ATOM 847 CB GLU A 58 9.431 13.105 -17.461 1.00 12.42 C ATOM 848 CG GLU A 58 10.406 13.413 -18.614 1.00 30.53 C ATOM 849 CD GLU A 58 9.921 14.554 -19.525 1.00 12.24 C ATOM 850 OE1 GLU A 58 8.938 14.352 -20.272 1.00 0.32 O ATOM 851 OE2 GLU A 58 10.496 15.667 -19.474 1.00 71.05 O ATOM 0 H GLU A 58 9.539 10.415 -17.799 1.00 24.41 H new ATOM 0 HA GLU A 58 10.797 12.374 -15.936 1.00 12.02 H new ATOM 0 HB2 GLU A 58 8.477 12.792 -17.885 1.00 12.42 H new ATOM 0 HB3 GLU A 58 9.247 14.024 -16.904 1.00 12.42 H new ATOM 0 HG2 GLU A 58 11.379 13.676 -18.199 1.00 30.53 H new ATOM 0 HG3 GLU A 58 10.548 12.513 -19.213 1.00 30.53 H new ATOM 858 N GLU A 59 8.443 10.403 -15.287 1.00 65.12 N ATOM 859 CA GLU A 59 7.242 9.953 -14.525 1.00 11.25 C ATOM 860 C GLU A 59 7.567 8.882 -13.443 1.00 61.31 C ATOM 861 O GLU A 59 6.642 8.291 -12.867 1.00 4.33 O ATOM 862 CB GLU A 59 6.200 9.371 -15.527 1.00 75.54 C ATOM 863 CG GLU A 59 5.672 10.358 -16.594 1.00 14.11 C ATOM 864 CD GLU A 59 4.661 9.718 -17.572 1.00 62.41 C ATOM 865 OE1 GLU A 59 3.468 9.602 -17.218 1.00 63.11 O ATOM 866 OE2 GLU A 59 5.060 9.311 -18.690 1.00 74.14 O ATOM 0 H GLU A 59 8.975 9.634 -15.694 1.00 65.12 H new ATOM 0 HA GLU A 59 6.847 10.823 -14.000 1.00 11.25 H new ATOM 0 HB2 GLU A 59 6.650 8.520 -16.037 1.00 75.54 H new ATOM 0 HB3 GLU A 59 5.351 8.990 -14.959 1.00 75.54 H new ATOM 0 HG2 GLU A 59 5.198 11.203 -16.094 1.00 14.11 H new ATOM 0 HG3 GLU A 59 6.514 10.754 -17.161 1.00 14.11 H new ATOM 873 N GLU A 60 8.863 8.632 -13.164 1.00 61.53 N ATOM 874 CA GLU A 60 9.283 7.595 -12.183 1.00 30.33 C ATOM 875 C GLU A 60 9.047 8.023 -10.708 1.00 43.12 C ATOM 876 O GLU A 60 9.198 9.195 -10.343 1.00 34.14 O ATOM 877 CB GLU A 60 10.765 7.157 -12.384 1.00 32.33 C ATOM 878 CG GLU A 60 11.847 8.251 -12.214 1.00 21.52 C ATOM 879 CD GLU A 60 12.061 9.108 -13.469 1.00 64.12 C ATOM 880 OE1 GLU A 60 12.849 8.692 -14.338 1.00 51.54 O ATOM 881 OE2 GLU A 60 11.421 10.173 -13.603 1.00 60.05 O ATOM 0 H GLU A 60 9.639 9.130 -13.600 1.00 61.53 H new ATOM 0 HA GLU A 60 8.641 6.737 -12.383 1.00 30.33 H new ATOM 0 HB2 GLU A 60 10.980 6.354 -11.679 1.00 32.33 H new ATOM 0 HB3 GLU A 60 10.862 6.736 -13.385 1.00 32.33 H new ATOM 0 HG2 GLU A 60 11.567 8.901 -11.385 1.00 21.52 H new ATOM 0 HG3 GLU A 60 12.791 7.777 -11.943 1.00 21.52 H new ATOM 888 N LEU A 61 8.676 7.032 -9.875 1.00 10.45 N ATOM 889 CA LEU A 61 8.473 7.197 -8.417 1.00 30.25 C ATOM 890 C LEU A 61 9.428 6.251 -7.654 1.00 21.52 C ATOM 891 O LEU A 61 9.426 5.041 -7.911 1.00 2.13 O ATOM 892 CB LEU A 61 6.994 6.884 -8.043 1.00 42.31 C ATOM 893 CG LEU A 61 6.631 6.961 -6.519 1.00 3.32 C ATOM 894 CD1 LEU A 61 6.832 8.385 -5.949 1.00 73.14 C ATOM 895 CD2 LEU A 61 5.194 6.447 -6.260 1.00 24.03 C ATOM 0 H LEU A 61 8.506 6.079 -10.197 1.00 10.45 H new ATOM 0 HA LEU A 61 8.690 8.228 -8.138 1.00 30.25 H new ATOM 0 HB2 LEU A 61 6.350 7.578 -8.583 1.00 42.31 H new ATOM 0 HB3 LEU A 61 6.755 5.883 -8.401 1.00 42.31 H new ATOM 0 HG LEU A 61 7.321 6.305 -5.989 1.00 3.32 H new ATOM 0 HD11 LEU A 61 6.569 8.394 -4.891 1.00 73.14 H new ATOM 0 HD12 LEU A 61 7.875 8.680 -6.066 1.00 73.14 H new ATOM 0 HD13 LEU A 61 6.194 9.086 -6.487 1.00 73.14 H new ATOM 0 HD21 LEU A 61 4.971 6.512 -5.195 1.00 24.03 H new ATOM 0 HD22 LEU A 61 4.483 7.057 -6.818 1.00 24.03 H new ATOM 0 HD23 LEU A 61 5.115 5.409 -6.584 1.00 24.03 H new ATOM 907 N VAL A 62 10.231 6.800 -6.717 1.00 43.44 N ATOM 908 CA VAL A 62 11.187 6.004 -5.904 1.00 51.45 C ATOM 909 C VAL A 62 10.609 5.777 -4.485 1.00 11.14 C ATOM 910 O VAL A 62 10.412 6.740 -3.733 1.00 30.13 O ATOM 911 CB VAL A 62 12.602 6.701 -5.792 1.00 45.41 C ATOM 912 CG1 VAL A 62 13.638 5.783 -5.075 1.00 52.21 C ATOM 913 CG2 VAL A 62 13.116 7.149 -7.181 1.00 21.55 C ATOM 0 H VAL A 62 10.238 7.797 -6.501 1.00 43.44 H new ATOM 0 HA VAL A 62 11.327 5.049 -6.410 1.00 51.45 H new ATOM 0 HB VAL A 62 12.479 7.594 -5.179 1.00 45.41 H new ATOM 0 HG11 VAL A 62 14.598 6.295 -5.016 1.00 52.21 H new ATOM 0 HG12 VAL A 62 13.287 5.554 -4.069 1.00 52.21 H new ATOM 0 HG13 VAL A 62 13.754 4.857 -5.638 1.00 52.21 H new ATOM 0 HG21 VAL A 62 14.091 7.625 -7.072 1.00 21.55 H new ATOM 0 HG22 VAL A 62 13.207 6.280 -7.833 1.00 21.55 H new ATOM 0 HG23 VAL A 62 12.413 7.858 -7.618 1.00 21.55 H new ATOM 923 N GLU A 63 10.329 4.505 -4.139 1.00 51.15 N ATOM 924 CA GLU A 63 9.856 4.095 -2.792 1.00 25.44 C ATOM 925 C GLU A 63 10.850 3.096 -2.160 1.00 63.12 C ATOM 926 O GLU A 63 11.317 2.198 -2.838 1.00 73.41 O ATOM 927 CB GLU A 63 8.445 3.462 -2.884 1.00 63.33 C ATOM 928 CG GLU A 63 7.363 4.418 -3.415 1.00 5.24 C ATOM 929 CD GLU A 63 5.966 3.785 -3.457 1.00 3.10 C ATOM 930 OE1 GLU A 63 5.259 3.802 -2.428 1.00 53.41 O ATOM 931 OE2 GLU A 63 5.586 3.229 -4.506 1.00 5.04 O ATOM 0 H GLU A 63 10.424 3.724 -4.788 1.00 51.15 H new ATOM 0 HA GLU A 63 9.798 4.981 -2.159 1.00 25.44 H new ATOM 0 HB2 GLU A 63 8.492 2.587 -3.533 1.00 63.33 H new ATOM 0 HB3 GLU A 63 8.151 3.110 -1.895 1.00 63.33 H new ATOM 0 HG2 GLU A 63 7.333 5.308 -2.786 1.00 5.24 H new ATOM 0 HG3 GLU A 63 7.637 4.745 -4.418 1.00 5.24 H new ATOM 938 N ARG A 64 11.156 3.245 -0.853 1.00 23.15 N ATOM 939 CA ARG A 64 12.153 2.399 -0.147 1.00 34.20 C ATOM 940 C ARG A 64 11.519 1.597 1.010 1.00 31.30 C ATOM 941 O ARG A 64 10.792 2.148 1.833 1.00 11.33 O ATOM 942 CB ARG A 64 13.306 3.273 0.396 1.00 32.15 C ATOM 943 CG ARG A 64 14.494 2.466 0.976 1.00 61.23 C ATOM 944 CD ARG A 64 15.686 3.357 1.359 1.00 4.21 C ATOM 945 NE ARG A 64 16.908 2.575 1.610 1.00 12.23 N ATOM 946 CZ ARG A 64 18.109 3.083 1.765 1.00 61.44 C ATOM 947 NH1 ARG A 64 18.308 4.365 1.753 1.00 3.11 N ATOM 948 NH2 ARG A 64 19.108 2.293 1.930 1.00 21.32 N ATOM 0 H ARG A 64 10.723 3.950 -0.257 1.00 23.15 H new ATOM 0 HA ARG A 64 12.542 1.685 -0.873 1.00 34.20 H new ATOM 0 HB2 ARG A 64 13.673 3.912 -0.408 1.00 32.15 H new ATOM 0 HB3 ARG A 64 12.914 3.931 1.172 1.00 32.15 H new ATOM 0 HG2 ARG A 64 14.159 1.916 1.856 1.00 61.23 H new ATOM 0 HG3 ARG A 64 14.819 1.727 0.243 1.00 61.23 H new ATOM 0 HD2 ARG A 64 15.873 4.074 0.559 1.00 4.21 H new ATOM 0 HD3 ARG A 64 15.436 3.932 2.250 1.00 4.21 H new ATOM 0 HE ARG A 64 16.815 1.561 1.668 1.00 12.23 H new ATOM 0 HH11 ARG A 64 17.522 5.002 1.621 1.00 3.11 H new ATOM 0 HH12 ARG A 64 19.250 4.736 1.875 1.00 3.11 H new ATOM 0 HH21 ARG A 64 18.964 1.283 1.940 1.00 21.32 H new ATOM 0 HH22 ARG A 64 20.046 2.675 2.051 1.00 21.32 H new ATOM 962 N LEU A 65 11.854 0.299 1.070 1.00 21.14 N ATOM 963 CA LEU A 65 11.361 -0.648 2.082 1.00 52.22 C ATOM 964 C LEU A 65 12.067 -0.428 3.444 1.00 51.20 C ATOM 965 O LEU A 65 13.292 -0.506 3.535 1.00 42.42 O ATOM 966 CB LEU A 65 11.583 -2.092 1.550 1.00 30.14 C ATOM 967 CG LEU A 65 11.002 -3.254 2.412 1.00 34.42 C ATOM 968 CD1 LEU A 65 9.523 -3.011 2.740 1.00 70.10 C ATOM 969 CD2 LEU A 65 11.195 -4.620 1.707 1.00 62.31 C ATOM 0 H LEU A 65 12.491 -0.132 0.400 1.00 21.14 H new ATOM 0 HA LEU A 65 10.297 -0.485 2.254 1.00 52.22 H new ATOM 0 HB2 LEU A 65 11.148 -2.158 0.553 1.00 30.14 H new ATOM 0 HB3 LEU A 65 12.655 -2.253 1.441 1.00 30.14 H new ATOM 0 HG LEU A 65 11.554 -3.280 3.351 1.00 34.42 H new ATOM 0 HD11 LEU A 65 9.143 -3.837 3.342 1.00 70.10 H new ATOM 0 HD12 LEU A 65 9.422 -2.080 3.297 1.00 70.10 H new ATOM 0 HD13 LEU A 65 8.951 -2.944 1.814 1.00 70.10 H new ATOM 0 HD21 LEU A 65 10.781 -5.413 2.330 1.00 62.31 H new ATOM 0 HD22 LEU A 65 10.682 -4.609 0.745 1.00 62.31 H new ATOM 0 HD23 LEU A 65 12.258 -4.801 1.549 1.00 62.31 H new ATOM 981 N VAL A 66 11.278 -0.126 4.494 1.00 31.43 N ATOM 982 CA VAL A 66 11.804 0.142 5.861 1.00 73.21 C ATOM 983 C VAL A 66 11.779 -1.139 6.734 1.00 30.51 C ATOM 984 O VAL A 66 12.727 -1.422 7.479 1.00 51.33 O ATOM 985 CB VAL A 66 10.976 1.289 6.567 1.00 12.51 C ATOM 986 CG1 VAL A 66 11.525 1.613 7.987 1.00 32.20 C ATOM 987 CG2 VAL A 66 10.935 2.564 5.684 1.00 12.14 C ATOM 0 H VAL A 66 10.262 -0.059 4.427 1.00 31.43 H new ATOM 0 HA VAL A 66 12.839 0.467 5.755 1.00 73.21 H new ATOM 0 HB VAL A 66 9.957 0.924 6.691 1.00 12.51 H new ATOM 0 HG11 VAL A 66 10.927 2.406 8.436 1.00 32.20 H new ATOM 0 HG12 VAL A 66 11.471 0.721 8.610 1.00 32.20 H new ATOM 0 HG13 VAL A 66 12.562 1.939 7.910 1.00 32.20 H new ATOM 0 HG21 VAL A 66 10.360 3.339 6.191 1.00 12.14 H new ATOM 0 HG22 VAL A 66 11.951 2.920 5.512 1.00 12.14 H new ATOM 0 HG23 VAL A 66 10.466 2.330 4.729 1.00 12.14 H new ATOM 997 N GLU A 67 10.685 -1.903 6.620 1.00 54.42 N ATOM 998 CA GLU A 67 10.458 -3.150 7.390 1.00 71.41 C ATOM 999 C GLU A 67 9.530 -4.098 6.604 1.00 11.13 C ATOM 1000 O GLU A 67 8.631 -3.644 5.895 1.00 64.41 O ATOM 1001 CB GLU A 67 9.836 -2.820 8.779 1.00 11.41 C ATOM 1002 CG GLU A 67 9.600 -4.033 9.710 1.00 10.42 C ATOM 1003 CD GLU A 67 10.893 -4.782 10.089 1.00 71.54 C ATOM 1004 OE1 GLU A 67 11.574 -4.361 11.054 1.00 41.21 O ATOM 1005 OE2 GLU A 67 11.246 -5.784 9.423 1.00 65.43 O ATOM 0 H GLU A 67 9.919 -1.677 5.985 1.00 54.42 H new ATOM 0 HA GLU A 67 11.417 -3.645 7.545 1.00 71.41 H new ATOM 0 HB2 GLU A 67 10.489 -2.113 9.291 1.00 11.41 H new ATOM 0 HB3 GLU A 67 8.883 -2.316 8.620 1.00 11.41 H new ATOM 0 HG2 GLU A 67 9.108 -3.691 10.621 1.00 10.42 H new ATOM 0 HG3 GLU A 67 8.918 -4.728 9.221 1.00 10.42 H new ATOM 1012 N ARG A 68 9.738 -5.417 6.749 1.00 63.11 N ATOM 1013 CA ARG A 68 8.921 -6.434 6.057 1.00 63.45 C ATOM 1014 C ARG A 68 8.766 -7.700 6.936 1.00 52.35 C ATOM 1015 O ARG A 68 9.760 -8.313 7.336 1.00 5.13 O ATOM 1016 CB ARG A 68 9.558 -6.756 4.660 1.00 31.24 C ATOM 1017 CG ARG A 68 8.755 -7.734 3.741 1.00 11.03 C ATOM 1018 CD ARG A 68 9.066 -9.223 3.994 1.00 31.43 C ATOM 1019 NE ARG A 68 8.161 -10.125 3.268 1.00 30.04 N ATOM 1020 CZ ARG A 68 8.277 -11.435 3.239 1.00 34.14 C ATOM 1021 NH1 ARG A 68 9.289 -12.040 3.787 1.00 65.43 N ATOM 1022 NH2 ARG A 68 7.382 -12.127 2.636 1.00 45.03 N ATOM 0 H ARG A 68 10.469 -5.808 7.343 1.00 63.11 H new ATOM 0 HA ARG A 68 7.917 -6.044 5.887 1.00 63.45 H new ATOM 0 HB2 ARG A 68 9.696 -5.818 4.123 1.00 31.24 H new ATOM 0 HB3 ARG A 68 10.549 -7.178 4.825 1.00 31.24 H new ATOM 0 HG2 ARG A 68 7.689 -7.565 3.890 1.00 11.03 H new ATOM 0 HG3 ARG A 68 8.972 -7.499 2.699 1.00 11.03 H new ATOM 0 HD2 ARG A 68 10.094 -9.430 3.697 1.00 31.43 H new ATOM 0 HD3 ARG A 68 8.996 -9.428 5.062 1.00 31.43 H new ATOM 0 HE ARG A 68 7.389 -9.706 2.750 1.00 30.04 H new ATOM 0 HH11 ARG A 68 10.016 -11.497 4.253 1.00 65.43 H new ATOM 0 HH12 ARG A 68 9.356 -13.057 3.751 1.00 65.43 H new ATOM 0 HH21 ARG A 68 6.594 -11.661 2.187 1.00 45.03 H new ATOM 0 HH22 ARG A 68 7.458 -13.144 2.605 1.00 45.03 H new ATOM 1036 N ASP A 69 7.498 -8.080 7.209 1.00 10.32 N ATOM 1037 CA ASP A 69 7.141 -9.348 7.898 1.00 13.31 C ATOM 1038 C ASP A 69 6.537 -10.366 6.899 1.00 52.25 C ATOM 1039 O ASP A 69 6.450 -10.101 5.699 1.00 53.23 O ATOM 1040 CB ASP A 69 6.126 -9.078 9.048 1.00 42.23 C ATOM 1041 CG ASP A 69 6.645 -8.181 10.189 1.00 51.41 C ATOM 1042 OD1 ASP A 69 7.855 -7.883 10.262 1.00 23.43 O ATOM 1043 OD2 ASP A 69 5.822 -7.782 11.034 1.00 60.53 O ATOM 0 H ASP A 69 6.687 -7.515 6.958 1.00 10.32 H new ATOM 0 HA ASP A 69 8.054 -9.768 8.320 1.00 13.31 H new ATOM 0 HB2 ASP A 69 5.235 -8.617 8.623 1.00 42.23 H new ATOM 0 HB3 ASP A 69 5.819 -10.034 9.471 1.00 42.23 H new ATOM 1048 N GLU A 70 6.125 -11.544 7.409 1.00 10.32 N ATOM 1049 CA GLU A 70 5.386 -12.552 6.611 1.00 71.21 C ATOM 1050 C GLU A 70 4.400 -13.336 7.501 1.00 30.04 C ATOM 1051 O GLU A 70 3.226 -13.506 7.147 1.00 62.51 O ATOM 1052 CB GLU A 70 6.357 -13.512 5.872 1.00 53.42 C ATOM 1053 CG GLU A 70 5.653 -14.495 4.916 1.00 43.23 C ATOM 1054 CD GLU A 70 6.618 -15.313 4.044 1.00 23.33 C ATOM 1055 OE1 GLU A 70 7.190 -16.305 4.541 1.00 2.52 O ATOM 1056 OE2 GLU A 70 6.803 -14.971 2.856 1.00 62.53 O ATOM 0 H GLU A 70 6.291 -11.825 8.375 1.00 10.32 H new ATOM 0 HA GLU A 70 4.811 -12.021 5.852 1.00 71.21 H new ATOM 0 HB2 GLU A 70 7.076 -12.921 5.305 1.00 53.42 H new ATOM 0 HB3 GLU A 70 6.923 -14.080 6.610 1.00 53.42 H new ATOM 0 HG2 GLU A 70 5.039 -15.179 5.501 1.00 43.23 H new ATOM 0 HG3 GLU A 70 4.978 -13.936 4.268 1.00 43.23 H new ATOM 1063 N SER A 71 4.892 -13.795 8.667 1.00 42.03 N ATOM 1064 CA SER A 71 4.061 -14.479 9.688 1.00 25.20 C ATOM 1065 C SER A 71 2.989 -13.526 10.266 1.00 60.15 C ATOM 1066 O SER A 71 1.828 -13.904 10.430 1.00 50.24 O ATOM 1067 CB SER A 71 4.964 -15.011 10.824 1.00 2.32 C ATOM 1068 OG SER A 71 5.685 -13.956 11.448 1.00 21.10 O ATOM 0 H SER A 71 5.873 -13.705 8.932 1.00 42.03 H new ATOM 0 HA SER A 71 3.548 -15.313 9.210 1.00 25.20 H new ATOM 0 HB2 SER A 71 4.353 -15.526 11.566 1.00 2.32 H new ATOM 0 HB3 SER A 71 5.663 -15.744 10.422 1.00 2.32 H new ATOM 0 HG SER A 71 6.246 -14.322 12.163 1.00 21.10 H new ATOM 1074 N ALA A 72 3.408 -12.283 10.557 1.00 61.45 N ATOM 1075 CA ALA A 72 2.510 -11.218 11.062 1.00 25.04 C ATOM 1076 C ALA A 72 1.602 -10.632 9.952 1.00 32.02 C ATOM 1077 O ALA A 72 0.507 -10.145 10.246 1.00 44.30 O ATOM 1078 CB ALA A 72 3.340 -10.095 11.706 1.00 62.14 C ATOM 0 H ALA A 72 4.377 -11.983 10.451 1.00 61.45 H new ATOM 0 HA ALA A 72 1.857 -11.673 11.807 1.00 25.04 H new ATOM 0 HB1 ALA A 72 2.673 -9.316 12.075 1.00 62.14 H new ATOM 0 HB2 ALA A 72 3.919 -10.500 12.536 1.00 62.14 H new ATOM 0 HB3 ALA A 72 4.017 -9.672 10.964 1.00 62.14 H new ATOM 1084 N ARG A 73 2.071 -10.704 8.683 1.00 64.20 N ATOM 1085 CA ARG A 73 1.427 -10.034 7.523 1.00 53.53 C ATOM 1086 C ARG A 73 1.375 -8.490 7.715 1.00 63.44 C ATOM 1087 O ARG A 73 0.298 -7.881 7.734 1.00 44.11 O ATOM 1088 CB ARG A 73 0.014 -10.626 7.220 1.00 71.31 C ATOM 1089 CG ARG A 73 0.011 -12.122 6.830 1.00 71.20 C ATOM 1090 CD ARG A 73 -1.418 -12.682 6.665 1.00 2.45 C ATOM 1091 NE ARG A 73 -2.177 -12.631 7.933 1.00 4.42 N ATOM 1092 CZ ARG A 73 -2.378 -13.642 8.759 1.00 41.01 C ATOM 1093 NH1 ARG A 73 -1.939 -14.832 8.496 1.00 2.51 N ATOM 1094 NH2 ARG A 73 -3.020 -13.444 9.861 1.00 12.44 N ATOM 0 H ARG A 73 2.909 -11.229 8.433 1.00 64.20 H new ATOM 0 HA ARG A 73 2.048 -10.233 6.650 1.00 53.53 H new ATOM 0 HB2 ARG A 73 -0.617 -10.492 8.099 1.00 71.31 H new ATOM 0 HB3 ARG A 73 -0.440 -10.053 6.411 1.00 71.31 H new ATOM 0 HG2 ARG A 73 0.560 -12.253 5.898 1.00 71.20 H new ATOM 0 HG3 ARG A 73 0.537 -12.695 7.593 1.00 71.20 H new ATOM 0 HD2 ARG A 73 -1.946 -12.111 5.902 1.00 2.45 H new ATOM 0 HD3 ARG A 73 -1.366 -13.712 6.313 1.00 2.45 H new ATOM 0 HE ARG A 73 -2.583 -11.732 8.194 1.00 4.42 H new ATOM 0 HH11 ARG A 73 -1.424 -15.006 7.633 1.00 2.51 H new ATOM 0 HH12 ARG A 73 -2.108 -15.595 9.152 1.00 2.51 H new ATOM 0 HH21 ARG A 73 -3.368 -12.512 10.088 1.00 12.44 H new ATOM 0 HH22 ARG A 73 -3.180 -14.219 10.505 1.00 12.44 H new ATOM 1108 N ARG A 74 2.565 -7.875 7.869 1.00 61.34 N ATOM 1109 CA ARG A 74 2.719 -6.410 8.052 1.00 25.12 C ATOM 1110 C ARG A 74 3.943 -5.892 7.232 1.00 21.20 C ATOM 1111 O ARG A 74 5.066 -6.361 7.420 1.00 43.41 O ATOM 1112 CB ARG A 74 2.837 -6.125 9.585 1.00 73.42 C ATOM 1113 CG ARG A 74 2.917 -4.631 10.015 1.00 42.13 C ATOM 1114 CD ARG A 74 4.349 -4.052 9.987 1.00 1.20 C ATOM 1115 NE ARG A 74 5.313 -4.862 10.755 1.00 52.52 N ATOM 1116 CZ ARG A 74 6.383 -4.416 11.378 1.00 74.55 C ATOM 1117 NH1 ARG A 74 6.626 -3.145 11.487 1.00 53.30 N ATOM 1118 NH2 ARG A 74 7.202 -5.264 11.913 1.00 11.44 N ATOM 0 H ARG A 74 3.452 -8.379 7.871 1.00 61.34 H new ATOM 0 HA ARG A 74 1.853 -5.868 7.672 1.00 25.12 H new ATOM 0 HB2 ARG A 74 1.978 -6.576 10.082 1.00 73.42 H new ATOM 0 HB3 ARG A 74 3.725 -6.634 9.958 1.00 73.42 H new ATOM 0 HG2 ARG A 74 2.282 -4.038 9.357 1.00 42.13 H new ATOM 0 HG3 ARG A 74 2.514 -4.530 11.023 1.00 42.13 H new ATOM 0 HD2 ARG A 74 4.686 -3.980 8.953 1.00 1.20 H new ATOM 0 HD3 ARG A 74 4.333 -3.039 10.388 1.00 1.20 H new ATOM 0 HE ARG A 74 5.133 -5.865 10.808 1.00 52.52 H new ATOM 0 HH11 ARG A 74 5.980 -2.466 11.085 1.00 53.30 H new ATOM 0 HH12 ARG A 74 7.463 -2.826 11.975 1.00 53.30 H new ATOM 0 HH21 ARG A 74 7.014 -6.265 11.849 1.00 11.44 H new ATOM 0 HH22 ARG A 74 8.035 -4.932 12.399 1.00 11.44 H new ATOM 1132 N LEU A 75 3.704 -4.919 6.323 1.00 53.44 N ATOM 1133 CA LEU A 75 4.723 -4.399 5.361 1.00 21.41 C ATOM 1134 C LEU A 75 4.890 -2.862 5.487 1.00 71.01 C ATOM 1135 O LEU A 75 4.030 -2.140 5.042 1.00 30.52 O ATOM 1136 CB LEU A 75 4.258 -4.755 3.912 1.00 43.33 C ATOM 1137 CG LEU A 75 5.135 -4.212 2.744 1.00 52.02 C ATOM 1138 CD1 LEU A 75 6.549 -4.795 2.804 1.00 55.12 C ATOM 1139 CD2 LEU A 75 4.476 -4.466 1.369 1.00 22.03 C ATOM 0 H LEU A 75 2.795 -4.465 6.230 1.00 53.44 H new ATOM 0 HA LEU A 75 5.686 -4.858 5.585 1.00 21.41 H new ATOM 0 HB2 LEU A 75 4.211 -5.841 3.826 1.00 43.33 H new ATOM 0 HB3 LEU A 75 3.243 -4.381 3.778 1.00 43.33 H new ATOM 0 HG LEU A 75 5.214 -3.132 2.866 1.00 52.02 H new ATOM 0 HD11 LEU A 75 7.141 -4.400 1.978 1.00 55.12 H new ATOM 0 HD12 LEU A 75 7.016 -4.519 3.749 1.00 55.12 H new ATOM 0 HD13 LEU A 75 6.498 -5.881 2.727 1.00 55.12 H new ATOM 0 HD21 LEU A 75 5.117 -4.073 0.580 1.00 22.03 H new ATOM 0 HD22 LEU A 75 4.337 -5.537 1.224 1.00 22.03 H new ATOM 0 HD23 LEU A 75 3.508 -3.967 1.332 1.00 22.03 H new ATOM 1151 N VAL A 76 6.024 -2.369 6.027 1.00 33.01 N ATOM 1152 CA VAL A 76 6.264 -0.898 6.203 1.00 62.33 C ATOM 1153 C VAL A 76 7.292 -0.370 5.175 1.00 75.13 C ATOM 1154 O VAL A 76 8.368 -0.940 5.017 1.00 61.45 O ATOM 1155 CB VAL A 76 6.781 -0.546 7.650 1.00 34.44 C ATOM 1156 CG1 VAL A 76 6.982 0.987 7.842 1.00 70.01 C ATOM 1157 CG2 VAL A 76 5.837 -1.109 8.725 1.00 23.11 C ATOM 0 H VAL A 76 6.793 -2.955 6.352 1.00 33.01 H new ATOM 0 HA VAL A 76 5.299 -0.416 6.045 1.00 62.33 H new ATOM 0 HB VAL A 76 7.756 -1.019 7.765 1.00 34.44 H new ATOM 0 HG11 VAL A 76 7.339 1.183 8.853 1.00 70.01 H new ATOM 0 HG12 VAL A 76 7.715 1.351 7.122 1.00 70.01 H new ATOM 0 HG13 VAL A 76 6.033 1.501 7.686 1.00 70.01 H new ATOM 0 HG21 VAL A 76 6.217 -0.852 9.714 1.00 23.11 H new ATOM 0 HG22 VAL A 76 4.843 -0.682 8.596 1.00 23.11 H new ATOM 0 HG23 VAL A 76 5.781 -2.193 8.628 1.00 23.11 H new ATOM 1167 N TYR A 77 6.962 0.749 4.512 1.00 22.21 N ATOM 1168 CA TYR A 77 7.886 1.442 3.584 1.00 51.23 C ATOM 1169 C TYR A 77 7.578 2.959 3.488 1.00 61.20 C ATOM 1170 O TYR A 77 6.668 3.452 4.143 1.00 74.04 O ATOM 1171 CB TYR A 77 7.892 0.754 2.191 1.00 24.44 C ATOM 1172 CG TYR A 77 6.533 0.628 1.493 1.00 43.54 C ATOM 1173 CD1 TYR A 77 5.725 -0.500 1.684 1.00 3.41 C ATOM 1174 CD2 TYR A 77 6.075 1.611 0.610 1.00 21.42 C ATOM 1175 CE1 TYR A 77 4.517 -0.631 1.033 1.00 31.20 C ATOM 1176 CE2 TYR A 77 4.871 1.475 -0.044 1.00 14.25 C ATOM 1177 CZ TYR A 77 4.097 0.354 0.166 1.00 50.24 C ATOM 1178 OH TYR A 77 2.905 0.210 -0.502 1.00 2.21 O ATOM 0 H TYR A 77 6.052 1.202 4.599 1.00 22.21 H new ATOM 0 HA TYR A 77 8.893 1.359 3.993 1.00 51.23 H new ATOM 0 HB2 TYR A 77 8.563 1.311 1.537 1.00 24.44 H new ATOM 0 HB3 TYR A 77 8.313 -0.245 2.304 1.00 24.44 H new ATOM 0 HD1 TYR A 77 6.054 -1.281 2.353 1.00 3.41 H new ATOM 0 HD2 TYR A 77 6.676 2.492 0.438 1.00 21.42 H new ATOM 0 HE1 TYR A 77 3.902 -1.503 1.202 1.00 31.20 H new ATOM 0 HE2 TYR A 77 4.533 2.246 -0.721 1.00 14.25 H new ATOM 0 HH TYR A 77 2.285 0.914 -0.220 1.00 2.21 H new ATOM 1188 N THR A 78 8.368 3.677 2.673 1.00 51.03 N ATOM 1189 CA THR A 78 8.326 5.161 2.548 1.00 45.40 C ATOM 1190 C THR A 78 8.606 5.603 1.097 1.00 2.34 C ATOM 1191 O THR A 78 9.031 4.794 0.278 1.00 2.23 O ATOM 1192 CB THR A 78 9.375 5.847 3.499 1.00 73.23 C ATOM 1193 OG1 THR A 78 9.326 7.280 3.354 1.00 41.02 O ATOM 1194 CG2 THR A 78 10.816 5.365 3.228 1.00 64.20 C ATOM 0 H THR A 78 9.068 3.245 2.069 1.00 51.03 H new ATOM 0 HA THR A 78 7.323 5.474 2.837 1.00 45.40 H new ATOM 0 HB THR A 78 9.106 5.563 4.516 1.00 73.23 H new ATOM 0 HG1 THR A 78 8.802 7.665 4.087 1.00 41.02 H new ATOM 0 HG21 THR A 78 11.502 5.868 3.910 1.00 64.20 H new ATOM 0 HG22 THR A 78 10.875 4.288 3.383 1.00 64.20 H new ATOM 0 HG23 THR A 78 11.090 5.599 2.199 1.00 64.20 H new ATOM 1202 N MET A 79 8.320 6.876 0.773 1.00 74.45 N ATOM 1203 CA MET A 79 8.784 7.524 -0.480 1.00 25.10 C ATOM 1204 C MET A 79 10.040 8.416 -0.203 1.00 63.14 C ATOM 1205 O MET A 79 9.897 9.525 0.318 1.00 24.44 O ATOM 1206 CB MET A 79 7.644 8.378 -1.113 1.00 45.53 C ATOM 1207 CG MET A 79 6.415 7.577 -1.580 1.00 2.44 C ATOM 1208 SD MET A 79 5.184 8.604 -2.427 1.00 32.34 S ATOM 1209 CE MET A 79 4.616 9.682 -1.111 1.00 44.11 C ATOM 0 H MET A 79 7.762 7.489 1.367 1.00 74.45 H new ATOM 0 HA MET A 79 9.061 6.741 -1.186 1.00 25.10 H new ATOM 0 HB2 MET A 79 7.320 9.121 -0.384 1.00 45.53 H new ATOM 0 HB3 MET A 79 8.049 8.923 -1.965 1.00 45.53 H new ATOM 0 HG2 MET A 79 6.740 6.781 -2.250 1.00 2.44 H new ATOM 0 HG3 MET A 79 5.950 7.098 -0.718 1.00 2.44 H new ATOM 0 HE1 MET A 79 3.530 9.622 -1.035 1.00 44.11 H new ATOM 0 HE2 MET A 79 5.064 9.371 -0.167 1.00 44.11 H new ATOM 0 HE3 MET A 79 4.908 10.709 -1.330 1.00 44.11 H new ATOM 1219 N PRO A 80 11.302 7.924 -0.491 1.00 44.01 N ATOM 1220 CA PRO A 80 12.535 8.774 -0.517 1.00 51.04 C ATOM 1221 C PRO A 80 12.474 9.887 -1.597 1.00 32.11 C ATOM 1222 O PRO A 80 13.207 10.878 -1.523 1.00 35.15 O ATOM 1223 CB PRO A 80 13.677 7.759 -0.824 1.00 65.24 C ATOM 1224 CG PRO A 80 12.983 6.575 -1.418 1.00 14.53 C ATOM 1225 CD PRO A 80 11.645 6.508 -0.723 1.00 61.22 C ATOM 0 HA PRO A 80 12.674 9.312 0.421 1.00 51.04 H new ATOM 0 HB2 PRO A 80 14.405 8.180 -1.517 1.00 65.24 H new ATOM 0 HB3 PRO A 80 14.219 7.487 0.082 1.00 65.24 H new ATOM 0 HG2 PRO A 80 12.861 6.690 -2.495 1.00 14.53 H new ATOM 0 HG3 PRO A 80 13.556 5.662 -1.257 1.00 14.53 H new ATOM 0 HD2 PRO A 80 10.897 6.011 -1.341 1.00 61.22 H new ATOM 0 HD3 PRO A 80 11.707 5.952 0.213 1.00 61.22 H new ATOM 1233 N ASP A 81 11.597 9.701 -2.601 1.00 44.44 N ATOM 1234 CA ASP A 81 11.278 10.745 -3.591 1.00 74.31 C ATOM 1235 C ASP A 81 9.740 10.970 -3.667 1.00 74.42 C ATOM 1236 O ASP A 81 9.061 10.388 -4.523 1.00 61.31 O ATOM 1237 CB ASP A 81 11.889 10.374 -4.970 1.00 23.13 C ATOM 1238 CG ASP A 81 11.718 11.486 -6.016 1.00 43.53 C ATOM 1239 OD1 ASP A 81 12.347 12.556 -5.864 1.00 64.11 O ATOM 1240 OD2 ASP A 81 10.949 11.310 -6.983 1.00 73.11 O ATOM 0 H ASP A 81 11.092 8.827 -2.748 1.00 44.44 H new ATOM 0 HA ASP A 81 11.723 11.690 -3.279 1.00 74.31 H new ATOM 0 HB2 ASP A 81 12.950 10.159 -4.846 1.00 23.13 H new ATOM 0 HB3 ASP A 81 11.419 9.461 -5.337 1.00 23.13 H new ATOM 1245 N PRO A 82 9.154 11.769 -2.713 1.00 73.34 N ATOM 1246 CA PRO A 82 7.733 12.160 -2.762 1.00 14.52 C ATOM 1247 C PRO A 82 7.499 13.496 -3.542 1.00 20.42 C ATOM 1248 O PRO A 82 8.077 14.532 -3.198 1.00 11.43 O ATOM 1249 CB PRO A 82 7.385 12.306 -1.263 1.00 65.53 C ATOM 1250 CG PRO A 82 8.661 12.765 -0.597 1.00 62.42 C ATOM 1251 CD PRO A 82 9.814 12.316 -1.491 1.00 51.53 C ATOM 0 HA PRO A 82 7.112 11.439 -3.294 1.00 14.52 H new ATOM 0 HB2 PRO A 82 6.583 13.029 -1.115 1.00 65.53 H new ATOM 0 HB3 PRO A 82 7.043 11.359 -0.845 1.00 65.53 H new ATOM 0 HG2 PRO A 82 8.665 13.848 -0.476 1.00 62.42 H new ATOM 0 HG3 PRO A 82 8.754 12.333 0.399 1.00 62.42 H new ATOM 0 HD2 PRO A 82 10.473 13.149 -1.736 1.00 51.53 H new ATOM 0 HD3 PRO A 82 10.426 11.560 -0.999 1.00 51.53 H new ATOM 1259 N PRO A 83 6.638 13.504 -4.613 1.00 44.10 N ATOM 1260 CA PRO A 83 6.257 14.757 -5.331 1.00 14.44 C ATOM 1261 C PRO A 83 5.115 15.553 -4.616 1.00 20.23 C ATOM 1262 O PRO A 83 4.367 16.298 -5.254 1.00 11.43 O ATOM 1263 CB PRO A 83 5.818 14.213 -6.711 1.00 71.25 C ATOM 1264 CG PRO A 83 5.213 12.869 -6.407 1.00 40.11 C ATOM 1265 CD PRO A 83 6.015 12.301 -5.242 1.00 32.20 C ATOM 0 HA PRO A 83 7.067 15.485 -5.380 1.00 14.44 H new ATOM 0 HB2 PRO A 83 5.096 14.875 -7.188 1.00 71.25 H new ATOM 0 HB3 PRO A 83 6.665 14.123 -7.391 1.00 71.25 H new ATOM 0 HG2 PRO A 83 4.159 12.966 -6.145 1.00 40.11 H new ATOM 0 HG3 PRO A 83 5.267 12.212 -7.275 1.00 40.11 H new ATOM 0 HD2 PRO A 83 5.375 11.769 -4.538 1.00 32.20 H new ATOM 0 HD3 PRO A 83 6.770 11.593 -5.584 1.00 32.20 H new ATOM 1273 N PHE A 84 5.015 15.391 -3.278 1.00 53.50 N ATOM 1274 CA PHE A 84 3.985 16.038 -2.431 1.00 43.54 C ATOM 1275 C PHE A 84 4.665 16.782 -1.248 1.00 51.41 C ATOM 1276 O PHE A 84 5.722 16.330 -0.779 1.00 42.31 O ATOM 1277 CB PHE A 84 2.997 14.962 -1.893 1.00 34.21 C ATOM 1278 CG PHE A 84 2.310 14.147 -2.995 1.00 32.21 C ATOM 1279 CD1 PHE A 84 1.304 14.714 -3.779 1.00 73.25 C ATOM 1280 CD2 PHE A 84 2.672 12.823 -3.252 1.00 54.32 C ATOM 1281 CE1 PHE A 84 0.691 13.991 -4.785 1.00 62.43 C ATOM 1282 CE2 PHE A 84 2.055 12.097 -4.257 1.00 54.35 C ATOM 1283 CZ PHE A 84 1.062 12.681 -5.021 1.00 55.11 C ATOM 0 H PHE A 84 5.655 14.800 -2.748 1.00 53.50 H new ATOM 0 HA PHE A 84 3.430 16.762 -3.028 1.00 43.54 H new ATOM 0 HB2 PHE A 84 3.538 14.282 -1.235 1.00 34.21 H new ATOM 0 HB3 PHE A 84 2.235 15.452 -1.288 1.00 34.21 H new ATOM 0 HD1 PHE A 84 1.000 15.734 -3.597 1.00 73.25 H new ATOM 0 HD2 PHE A 84 3.445 12.358 -2.658 1.00 54.32 H new ATOM 0 HE1 PHE A 84 -0.079 14.450 -5.387 1.00 62.43 H new ATOM 0 HE2 PHE A 84 2.350 11.075 -4.444 1.00 54.35 H new ATOM 0 HZ PHE A 84 0.577 12.114 -5.802 1.00 55.11 H new ATOM 1293 N PRO A 85 4.092 17.942 -0.758 1.00 54.34 N ATOM 1294 CA PRO A 85 4.648 18.699 0.405 1.00 34.35 C ATOM 1295 C PRO A 85 4.494 17.945 1.759 1.00 0.00 C ATOM 1296 O PRO A 85 3.594 18.236 2.560 1.00 45.43 O ATOM 1297 CB PRO A 85 3.851 20.047 0.389 1.00 13.32 C ATOM 1298 CG PRO A 85 3.163 20.082 -0.946 1.00 74.51 C ATOM 1299 CD PRO A 85 2.901 18.636 -1.310 1.00 31.13 C ATOM 0 HA PRO A 85 5.725 18.842 0.316 1.00 34.35 H new ATOM 0 HB2 PRO A 85 3.129 20.088 1.205 1.00 13.32 H new ATOM 0 HB3 PRO A 85 4.518 20.900 0.511 1.00 13.32 H new ATOM 0 HG2 PRO A 85 2.232 20.647 -0.892 1.00 74.51 H new ATOM 0 HG3 PRO A 85 3.788 20.567 -1.696 1.00 74.51 H new ATOM 0 HD2 PRO A 85 1.976 18.268 -0.867 1.00 31.13 H new ATOM 0 HD3 PRO A 85 2.815 18.498 -2.388 1.00 31.13 H new ATOM 1307 N ILE A 86 5.362 16.934 1.969 1.00 0.20 N ATOM 1308 CA ILE A 86 5.411 16.110 3.206 1.00 54.22 C ATOM 1309 C ILE A 86 6.876 15.982 3.699 1.00 33.51 C ATOM 1310 O ILE A 86 7.817 16.208 2.925 1.00 75.21 O ATOM 1311 CB ILE A 86 4.790 14.673 2.975 1.00 15.14 C ATOM 1312 CG1 ILE A 86 5.603 13.855 1.921 1.00 44.33 C ATOM 1313 CG2 ILE A 86 3.305 14.771 2.556 1.00 12.34 C ATOM 1314 CD1 ILE A 86 5.027 12.482 1.602 1.00 40.22 C ATOM 0 H ILE A 86 6.060 16.659 1.278 1.00 0.20 H new ATOM 0 HA ILE A 86 4.813 16.613 3.966 1.00 54.22 H new ATOM 0 HB ILE A 86 4.847 14.141 3.925 1.00 15.14 H new ATOM 0 HG12 ILE A 86 5.662 14.433 0.999 1.00 44.33 H new ATOM 0 HG13 ILE A 86 6.623 13.731 2.285 1.00 44.33 H new ATOM 0 HG21 ILE A 86 2.903 13.769 2.404 1.00 12.34 H new ATOM 0 HG22 ILE A 86 2.738 15.274 3.339 1.00 12.34 H new ATOM 0 HG23 ILE A 86 3.225 15.339 1.629 1.00 12.34 H new ATOM 0 HD11 ILE A 86 5.656 11.987 0.862 1.00 40.22 H new ATOM 0 HD12 ILE A 86 4.994 11.881 2.511 1.00 40.22 H new ATOM 0 HD13 ILE A 86 4.018 12.594 1.205 1.00 40.22 H new ATOM 1326 N THR A 87 7.071 15.638 4.988 1.00 11.32 N ATOM 1327 CA THR A 87 8.433 15.487 5.578 1.00 50.11 C ATOM 1328 C THR A 87 8.822 13.991 5.731 1.00 13.13 C ATOM 1329 O THR A 87 9.572 13.455 4.909 1.00 34.03 O ATOM 1330 CB THR A 87 8.547 16.244 6.950 1.00 70.14 C ATOM 1331 OG1 THR A 87 8.079 17.599 6.800 1.00 11.42 O ATOM 1332 CG2 THR A 87 9.988 16.270 7.496 1.00 65.25 C ATOM 0 H THR A 87 6.311 15.458 5.645 1.00 11.32 H new ATOM 0 HA THR A 87 9.141 15.943 4.886 1.00 50.11 H new ATOM 0 HB THR A 87 7.930 15.699 7.665 1.00 70.14 H new ATOM 0 HG1 THR A 87 7.463 17.815 7.531 1.00 11.42 H new ATOM 0 HG21 THR A 87 10.008 16.805 8.445 1.00 65.25 H new ATOM 0 HG22 THR A 87 10.338 15.249 7.648 1.00 65.25 H new ATOM 0 HG23 THR A 87 10.639 16.774 6.781 1.00 65.25 H new ATOM 1340 N ASN A 88 8.294 13.310 6.772 1.00 64.35 N ATOM 1341 CA ASN A 88 8.613 11.882 7.053 1.00 74.14 C ATOM 1342 C ASN A 88 7.430 10.952 6.652 1.00 61.24 C ATOM 1343 O ASN A 88 6.441 10.830 7.376 1.00 65.11 O ATOM 1344 CB ASN A 88 9.024 11.710 8.548 1.00 31.44 C ATOM 1345 CG ASN A 88 8.016 12.300 9.545 1.00 63.22 C ATOM 1346 OD1 ASN A 88 8.072 13.478 9.874 1.00 43.12 O ATOM 1347 ND2 ASN A 88 7.089 11.493 10.030 1.00 1.03 N ATOM 0 H ASN A 88 7.641 13.724 7.438 1.00 64.35 H new ATOM 0 HA ASN A 88 9.463 11.582 6.440 1.00 74.14 H new ATOM 0 HB2 ASN A 88 9.150 10.648 8.760 1.00 31.44 H new ATOM 0 HB3 ASN A 88 9.993 12.183 8.704 1.00 31.44 H new ATOM 0 HD21 ASN A 88 6.400 11.848 10.693 1.00 1.03 H new ATOM 0 HD22 ASN A 88 7.062 10.515 9.741 1.00 1.03 H new ATOM 1354 N HIS A 89 7.543 10.308 5.475 1.00 21.24 N ATOM 1355 CA HIS A 89 6.470 9.456 4.901 1.00 35.14 C ATOM 1356 C HIS A 89 6.558 7.975 5.372 1.00 40.41 C ATOM 1357 O HIS A 89 7.641 7.450 5.617 1.00 32.52 O ATOM 1358 CB HIS A 89 6.516 9.516 3.349 1.00 40.10 C ATOM 1359 CG HIS A 89 5.403 8.733 2.696 1.00 14.11 C ATOM 1360 ND1 HIS A 89 5.639 7.563 2.022 1.00 42.35 N ATOM 1361 CD2 HIS A 89 4.069 8.965 2.722 1.00 14.21 C ATOM 1362 CE1 HIS A 89 4.453 7.108 1.662 1.00 21.31 C ATOM 1363 NE2 HIS A 89 3.468 7.927 2.068 1.00 4.21 N ATOM 0 H HIS A 89 8.378 10.360 4.891 1.00 21.24 H new ATOM 0 HA HIS A 89 5.522 9.854 5.264 1.00 35.14 H new ATOM 0 HB2 HIS A 89 6.457 10.556 3.029 1.00 40.10 H new ATOM 0 HB3 HIS A 89 7.475 9.130 3.004 1.00 40.10 H new ATOM 0 HD2 HIS A 89 3.574 9.811 3.175 1.00 14.21 H new ATOM 0 HE1 HIS A 89 4.294 6.193 1.111 1.00 21.31 H new ATOM 0 HE2 HIS A 89 2.467 7.799 1.917 1.00 4.21 H new ATOM 1371 N ARG A 90 5.381 7.337 5.558 1.00 12.13 N ATOM 1372 CA ARG A 90 5.225 5.872 5.772 1.00 43.34 C ATOM 1373 C ARG A 90 4.024 5.350 4.941 1.00 61.51 C ATOM 1374 O ARG A 90 3.124 6.119 4.596 1.00 45.24 O ATOM 1375 CB ARG A 90 4.992 5.495 7.276 1.00 72.44 C ATOM 1376 CG ARG A 90 6.185 5.729 8.250 1.00 71.41 C ATOM 1377 CD ARG A 90 6.339 7.192 8.702 1.00 21.32 C ATOM 1378 NE ARG A 90 7.471 7.377 9.624 1.00 45.45 N ATOM 1379 CZ ARG A 90 8.643 7.882 9.311 1.00 71.14 C ATOM 1380 NH1 ARG A 90 8.939 8.212 8.088 1.00 34.31 N ATOM 1381 NH2 ARG A 90 9.528 8.031 10.234 1.00 35.13 N ATOM 0 H ARG A 90 4.490 7.833 5.564 1.00 12.13 H new ATOM 0 HA ARG A 90 6.158 5.408 5.453 1.00 43.34 H new ATOM 0 HB2 ARG A 90 4.138 6.065 7.641 1.00 72.44 H new ATOM 0 HB3 ARG A 90 4.716 4.442 7.324 1.00 72.44 H new ATOM 0 HG2 ARG A 90 6.053 5.099 9.129 1.00 71.41 H new ATOM 0 HG3 ARG A 90 7.107 5.409 7.764 1.00 71.41 H new ATOM 0 HD2 ARG A 90 6.479 7.827 7.827 1.00 21.32 H new ATOM 0 HD3 ARG A 90 5.420 7.518 9.189 1.00 21.32 H new ATOM 0 HE ARG A 90 7.334 7.087 10.592 1.00 45.45 H new ATOM 0 HH11 ARG A 90 8.253 8.081 7.344 1.00 34.31 H new ATOM 0 HH12 ARG A 90 9.857 8.602 7.873 1.00 34.31 H new ATOM 0 HH21 ARG A 90 9.315 7.758 11.194 1.00 35.13 H new ATOM 0 HH22 ARG A 90 10.442 8.422 10.006 1.00 35.13 H new ATOM 1395 N ALA A 91 4.020 4.037 4.657 1.00 71.22 N ATOM 1396 CA ALA A 91 2.943 3.342 3.913 1.00 64.31 C ATOM 1397 C ALA A 91 2.997 1.830 4.238 1.00 65.22 C ATOM 1398 O ALA A 91 4.014 1.176 3.986 1.00 1.34 O ATOM 1399 CB ALA A 91 3.080 3.590 2.401 1.00 4.23 C ATOM 0 H ALA A 91 4.776 3.413 4.941 1.00 71.22 H new ATOM 0 HA ALA A 91 1.975 3.737 4.221 1.00 64.31 H new ATOM 0 HB1 ALA A 91 2.280 3.071 1.873 1.00 4.23 H new ATOM 0 HB2 ALA A 91 3.013 4.659 2.200 1.00 4.23 H new ATOM 0 HB3 ALA A 91 4.044 3.216 2.057 1.00 4.23 H new ATOM 1405 N VAL A 92 1.902 1.277 4.807 1.00 54.10 N ATOM 1406 CA VAL A 92 1.893 -0.090 5.393 1.00 40.52 C ATOM 1407 C VAL A 92 0.773 -0.978 4.803 1.00 71.25 C ATOM 1408 O VAL A 92 -0.367 -0.556 4.744 1.00 71.21 O ATOM 1409 CB VAL A 92 1.733 -0.049 6.971 1.00 65.42 C ATOM 1410 CG1 VAL A 92 1.873 -1.463 7.610 1.00 24.21 C ATOM 1411 CG2 VAL A 92 2.726 0.950 7.619 1.00 75.31 C ATOM 0 H VAL A 92 1.005 1.758 4.875 1.00 54.10 H new ATOM 0 HA VAL A 92 2.858 -0.527 5.135 1.00 40.52 H new ATOM 0 HB VAL A 92 0.721 0.303 7.174 1.00 65.42 H new ATOM 0 HG11 VAL A 92 1.757 -1.387 8.691 1.00 24.21 H new ATOM 0 HG12 VAL A 92 1.104 -2.122 7.208 1.00 24.21 H new ATOM 0 HG13 VAL A 92 2.857 -1.871 7.379 1.00 24.21 H new ATOM 0 HG21 VAL A 92 2.587 0.951 8.700 1.00 75.31 H new ATOM 0 HG22 VAL A 92 3.748 0.651 7.384 1.00 75.31 H new ATOM 0 HG23 VAL A 92 2.542 1.951 7.229 1.00 75.31 H new ATOM 1421 N LEU A 93 1.113 -2.225 4.399 1.00 61.34 N ATOM 1422 CA LEU A 93 0.122 -3.260 3.994 1.00 42.21 C ATOM 1423 C LEU A 93 -0.039 -4.286 5.135 1.00 73.53 C ATOM 1424 O LEU A 93 0.932 -4.940 5.518 1.00 33.05 O ATOM 1425 CB LEU A 93 0.547 -3.997 2.676 1.00 70.43 C ATOM 1426 CG LEU A 93 0.135 -3.329 1.324 1.00 61.24 C ATOM 1427 CD1 LEU A 93 -1.390 -3.130 1.239 1.00 34.23 C ATOM 1428 CD2 LEU A 93 0.884 -2.014 1.079 1.00 2.52 C ATOM 0 H LEU A 93 2.080 -2.545 4.343 1.00 61.34 H new ATOM 0 HA LEU A 93 -0.826 -2.759 3.799 1.00 42.21 H new ATOM 0 HB2 LEU A 93 1.632 -4.105 2.683 1.00 70.43 H new ATOM 0 HB3 LEU A 93 0.126 -5.002 2.699 1.00 70.43 H new ATOM 0 HG LEU A 93 0.426 -4.014 0.528 1.00 61.24 H new ATOM 0 HD11 LEU A 93 -1.644 -2.663 0.287 1.00 34.23 H new ATOM 0 HD12 LEU A 93 -1.888 -4.097 1.313 1.00 34.23 H new ATOM 0 HD13 LEU A 93 -1.719 -2.489 2.056 1.00 34.23 H new ATOM 0 HD21 LEU A 93 0.566 -1.586 0.128 1.00 2.52 H new ATOM 0 HD22 LEU A 93 0.663 -1.314 1.885 1.00 2.52 H new ATOM 0 HD23 LEU A 93 1.957 -2.206 1.049 1.00 2.52 H new ATOM 1440 N GLU A 94 -1.262 -4.415 5.678 1.00 45.35 N ATOM 1441 CA GLU A 94 -1.578 -5.415 6.721 1.00 2.24 C ATOM 1442 C GLU A 94 -2.852 -6.207 6.346 1.00 72.14 C ATOM 1443 O GLU A 94 -3.954 -5.646 6.290 1.00 20.24 O ATOM 1444 CB GLU A 94 -1.738 -4.721 8.104 1.00 72.40 C ATOM 1445 CG GLU A 94 -1.909 -5.701 9.286 1.00 13.43 C ATOM 1446 CD GLU A 94 -1.926 -5.011 10.665 1.00 44.51 C ATOM 1447 OE1 GLU A 94 -3.011 -4.602 11.132 1.00 54.04 O ATOM 1448 OE2 GLU A 94 -0.850 -4.882 11.293 1.00 44.32 O ATOM 0 H GLU A 94 -2.057 -3.834 5.411 1.00 45.35 H new ATOM 0 HA GLU A 94 -0.751 -6.122 6.789 1.00 2.24 H new ATOM 0 HB2 GLU A 94 -0.864 -4.096 8.288 1.00 72.40 H new ATOM 0 HB3 GLU A 94 -2.602 -4.058 8.068 1.00 72.40 H new ATOM 0 HG2 GLU A 94 -2.838 -6.255 9.155 1.00 13.43 H new ATOM 0 HG3 GLU A 94 -1.098 -6.429 9.264 1.00 13.43 H new ATOM 1455 N VAL A 95 -2.684 -7.520 6.089 1.00 31.30 N ATOM 1456 CA VAL A 95 -3.788 -8.415 5.680 1.00 63.23 C ATOM 1457 C VAL A 95 -4.302 -9.228 6.896 1.00 40.35 C ATOM 1458 O VAL A 95 -3.561 -10.031 7.477 1.00 71.12 O ATOM 1459 CB VAL A 95 -3.338 -9.391 4.524 1.00 3.53 C ATOM 1460 CG1 VAL A 95 -4.527 -10.234 4.002 1.00 25.44 C ATOM 1461 CG2 VAL A 95 -2.673 -8.610 3.362 1.00 5.24 C ATOM 0 H VAL A 95 -1.781 -7.990 6.159 1.00 31.30 H new ATOM 0 HA VAL A 95 -4.598 -7.793 5.300 1.00 63.23 H new ATOM 0 HB VAL A 95 -2.600 -10.074 4.943 1.00 3.53 H new ATOM 0 HG11 VAL A 95 -4.183 -10.895 3.207 1.00 25.44 H new ATOM 0 HG12 VAL A 95 -4.936 -10.830 4.818 1.00 25.44 H new ATOM 0 HG13 VAL A 95 -5.300 -9.571 3.613 1.00 25.44 H new ATOM 0 HG21 VAL A 95 -2.373 -9.307 2.580 1.00 5.24 H new ATOM 0 HG22 VAL A 95 -3.383 -7.891 2.954 1.00 5.24 H new ATOM 0 HG23 VAL A 95 -1.795 -8.082 3.734 1.00 5.24 H new ATOM 1471 N VAL A 96 -5.573 -9.008 7.271 1.00 32.15 N ATOM 1472 CA VAL A 96 -6.221 -9.672 8.429 1.00 72.30 C ATOM 1473 C VAL A 96 -7.364 -10.628 7.956 1.00 21.44 C ATOM 1474 O VAL A 96 -8.283 -10.193 7.260 1.00 20.25 O ATOM 1475 CB VAL A 96 -6.760 -8.606 9.471 1.00 25.12 C ATOM 1476 CG1 VAL A 96 -5.590 -7.996 10.288 1.00 72.14 C ATOM 1477 CG2 VAL A 96 -7.578 -7.479 8.787 1.00 63.12 C ATOM 0 H VAL A 96 -6.189 -8.361 6.780 1.00 32.15 H new ATOM 0 HA VAL A 96 -5.467 -10.276 8.934 1.00 72.30 H new ATOM 0 HB VAL A 96 -7.431 -9.135 10.148 1.00 25.12 H new ATOM 0 HG11 VAL A 96 -5.983 -7.267 10.997 1.00 72.14 H new ATOM 0 HG12 VAL A 96 -5.073 -8.788 10.830 1.00 72.14 H new ATOM 0 HG13 VAL A 96 -4.891 -7.504 9.611 1.00 72.14 H new ATOM 0 HG21 VAL A 96 -7.926 -6.773 9.541 1.00 63.12 H new ATOM 0 HG22 VAL A 96 -6.948 -6.958 8.066 1.00 63.12 H new ATOM 0 HG23 VAL A 96 -8.436 -7.913 8.273 1.00 63.12 H new ATOM 1487 N PRO A 97 -7.313 -11.961 8.315 1.00 45.13 N ATOM 1488 CA PRO A 97 -8.309 -12.967 7.838 1.00 5.25 C ATOM 1489 C PRO A 97 -9.734 -12.768 8.445 1.00 42.31 C ATOM 1490 O PRO A 97 -9.906 -12.715 9.669 1.00 51.44 O ATOM 1491 CB PRO A 97 -7.679 -14.319 8.272 1.00 70.20 C ATOM 1492 CG PRO A 97 -6.833 -13.976 9.465 1.00 33.24 C ATOM 1493 CD PRO A 97 -6.285 -12.587 9.194 1.00 51.33 C ATOM 0 HA PRO A 97 -8.483 -12.891 6.765 1.00 5.25 H new ATOM 0 HB2 PRO A 97 -8.446 -15.050 8.527 1.00 70.20 H new ATOM 0 HB3 PRO A 97 -7.079 -14.752 7.472 1.00 70.20 H new ATOM 0 HG2 PRO A 97 -7.423 -13.992 10.381 1.00 33.24 H new ATOM 0 HG3 PRO A 97 -6.026 -14.697 9.593 1.00 33.24 H new ATOM 0 HD2 PRO A 97 -6.152 -12.023 10.117 1.00 51.33 H new ATOM 0 HD3 PRO A 97 -5.313 -12.630 8.704 1.00 51.33 H new ATOM 1501 N ARG A 98 -10.742 -12.645 7.559 1.00 61.23 N ATOM 1502 CA ARG A 98 -12.176 -12.479 7.937 1.00 15.23 C ATOM 1503 C ARG A 98 -13.014 -13.744 7.620 1.00 20.33 C ATOM 1504 O ARG A 98 -14.176 -13.839 8.032 1.00 30.31 O ATOM 1505 CB ARG A 98 -12.756 -11.234 7.204 1.00 24.05 C ATOM 1506 CG ARG A 98 -12.261 -9.877 7.769 1.00 11.34 C ATOM 1507 CD ARG A 98 -12.770 -9.616 9.208 1.00 34.51 C ATOM 1508 NE ARG A 98 -14.251 -9.557 9.259 1.00 32.13 N ATOM 1509 CZ ARG A 98 -15.044 -10.365 9.943 1.00 11.14 C ATOM 1510 NH1 ARG A 98 -14.566 -11.322 10.679 1.00 31.22 N ATOM 1511 NH2 ARG A 98 -16.324 -10.200 9.875 1.00 51.40 N ATOM 0 H ARG A 98 -10.592 -12.657 6.550 1.00 61.23 H new ATOM 0 HA ARG A 98 -12.232 -12.331 9.015 1.00 15.23 H new ATOM 0 HB2 ARG A 98 -12.493 -11.293 6.148 1.00 24.05 H new ATOM 0 HB3 ARG A 98 -13.844 -11.265 7.264 1.00 24.05 H new ATOM 0 HG2 ARG A 98 -11.171 -9.860 7.763 1.00 11.34 H new ATOM 0 HG3 ARG A 98 -12.596 -9.071 7.116 1.00 11.34 H new ATOM 0 HD2 ARG A 98 -12.413 -10.405 9.870 1.00 34.51 H new ATOM 0 HD3 ARG A 98 -12.355 -8.678 9.577 1.00 34.51 H new ATOM 0 HE ARG A 98 -14.702 -8.822 8.714 1.00 32.13 H new ATOM 0 HH11 ARG A 98 -13.558 -11.464 10.739 1.00 31.22 H new ATOM 0 HH12 ARG A 98 -15.199 -11.932 11.197 1.00 31.22 H new ATOM 0 HH21 ARG A 98 -16.712 -9.453 9.299 1.00 51.40 H new ATOM 0 HH22 ARG A 98 -16.946 -10.817 10.398 1.00 51.40 H new ATOM 1525 N ASP A 99 -12.400 -14.696 6.893 1.00 4.21 N ATOM 1526 CA ASP A 99 -13.033 -15.951 6.421 1.00 54.22 C ATOM 1527 C ASP A 99 -11.961 -16.829 5.706 1.00 41.53 C ATOM 1528 O ASP A 99 -10.848 -16.358 5.432 1.00 3.53 O ATOM 1529 CB ASP A 99 -14.221 -15.617 5.468 1.00 4.45 C ATOM 1530 CG ASP A 99 -14.961 -16.834 4.902 1.00 51.21 C ATOM 1531 OD1 ASP A 99 -15.623 -17.551 5.680 1.00 43.45 O ATOM 1532 OD2 ASP A 99 -14.874 -17.082 3.679 1.00 53.32 O ATOM 0 H ASP A 99 -11.424 -14.616 6.608 1.00 4.21 H new ATOM 0 HA ASP A 99 -13.430 -16.511 7.267 1.00 54.22 H new ATOM 0 HB2 ASP A 99 -14.935 -14.995 6.007 1.00 4.45 H new ATOM 0 HB3 ASP A 99 -13.844 -15.021 4.637 1.00 4.45 H new ATOM 1537 N ASP A 100 -12.302 -18.105 5.439 1.00 64.43 N ATOM 1538 CA ASP A 100 -11.458 -19.046 4.654 1.00 72.25 C ATOM 1539 C ASP A 100 -11.076 -18.474 3.272 1.00 51.21 C ATOM 1540 O ASP A 100 -9.951 -18.657 2.802 1.00 22.14 O ATOM 1541 CB ASP A 100 -12.209 -20.382 4.467 1.00 4.51 C ATOM 1542 CG ASP A 100 -12.448 -21.098 5.804 1.00 25.12 C ATOM 1543 OD1 ASP A 100 -11.586 -21.900 6.223 1.00 54.42 O ATOM 1544 OD2 ASP A 100 -13.475 -20.833 6.463 1.00 22.43 O ATOM 0 H ASP A 100 -13.176 -18.521 5.761 1.00 64.43 H new ATOM 0 HA ASP A 100 -10.536 -19.203 5.213 1.00 72.25 H new ATOM 0 HB2 ASP A 100 -13.166 -20.195 3.979 1.00 4.51 H new ATOM 0 HB3 ASP A 100 -11.635 -21.031 3.805 1.00 4.51 H new ATOM 1549 N ARG A 101 -12.037 -17.789 2.635 1.00 41.11 N ATOM 1550 CA ARG A 101 -11.839 -17.167 1.319 1.00 61.10 C ATOM 1551 C ARG A 101 -12.350 -15.697 1.332 1.00 30.34 C ATOM 1552 O ARG A 101 -12.924 -15.210 0.362 1.00 25.03 O ATOM 1553 CB ARG A 101 -12.519 -18.057 0.228 1.00 71.12 C ATOM 1554 CG ARG A 101 -12.117 -17.714 -1.232 1.00 53.44 C ATOM 1555 CD ARG A 101 -12.288 -18.895 -2.214 1.00 64.35 C ATOM 1556 NE ARG A 101 -13.620 -19.533 -2.142 1.00 60.21 N ATOM 1557 CZ ARG A 101 -13.841 -20.837 -2.214 1.00 63.10 C ATOM 1558 NH1 ARG A 101 -12.860 -21.681 -2.328 1.00 24.51 N ATOM 1559 NH2 ARG A 101 -15.047 -21.286 -2.161 1.00 44.12 N ATOM 0 H ARG A 101 -12.972 -17.651 3.018 1.00 41.11 H new ATOM 0 HA ARG A 101 -10.778 -17.110 1.075 1.00 61.10 H new ATOM 0 HB2 ARG A 101 -12.271 -19.100 0.423 1.00 71.12 H new ATOM 0 HB3 ARG A 101 -13.601 -17.963 0.324 1.00 71.12 H new ATOM 0 HG2 ARG A 101 -12.719 -16.874 -1.578 1.00 53.44 H new ATOM 0 HG3 ARG A 101 -11.077 -17.388 -1.247 1.00 53.44 H new ATOM 0 HD2 ARG A 101 -12.118 -18.540 -3.230 1.00 64.35 H new ATOM 0 HD3 ARG A 101 -11.523 -19.644 -2.006 1.00 64.35 H new ATOM 0 HE ARG A 101 -14.430 -18.923 -2.028 1.00 60.21 H new ATOM 0 HH11 ARG A 101 -11.898 -21.343 -2.364 1.00 24.51 H new ATOM 0 HH12 ARG A 101 -13.052 -22.681 -2.382 1.00 24.51 H new ATOM 0 HH21 ARG A 101 -15.829 -20.638 -2.064 1.00 44.12 H new ATOM 0 HH22 ARG A 101 -15.220 -22.290 -2.216 1.00 44.12 H new ATOM 1573 N HIS A 102 -12.105 -14.990 2.459 1.00 24.11 N ATOM 1574 CA HIS A 102 -12.251 -13.508 2.571 1.00 54.34 C ATOM 1575 C HIS A 102 -11.231 -12.952 3.594 1.00 1.03 C ATOM 1576 O HIS A 102 -11.058 -13.513 4.677 1.00 31.11 O ATOM 1577 CB HIS A 102 -13.691 -13.051 2.972 1.00 44.11 C ATOM 1578 CG HIS A 102 -14.731 -13.261 1.909 1.00 65.33 C ATOM 1579 ND1 HIS A 102 -15.415 -14.445 1.746 1.00 54.03 N ATOM 1580 CD2 HIS A 102 -15.178 -12.438 0.928 1.00 12.35 C ATOM 1581 CE1 HIS A 102 -16.222 -14.346 0.714 1.00 53.15 C ATOM 1582 NE2 HIS A 102 -16.100 -13.141 0.203 1.00 34.31 N ATOM 0 H HIS A 102 -11.798 -15.429 3.327 1.00 24.11 H new ATOM 0 HA HIS A 102 -12.057 -13.106 1.577 1.00 54.34 H new ATOM 0 HB2 HIS A 102 -13.993 -13.591 3.869 1.00 44.11 H new ATOM 0 HB3 HIS A 102 -13.663 -11.993 3.231 1.00 44.11 H new ATOM 0 HD1 HIS A 102 -15.311 -15.271 2.335 1.00 54.03 H new ATOM 0 HD2 HIS A 102 -14.865 -11.419 0.753 1.00 12.35 H new ATOM 0 HE1 HIS A 102 -16.876 -15.124 0.347 1.00 53.15 H new ATOM 1591 N CYS A 103 -10.566 -11.841 3.241 1.00 1.44 N ATOM 1592 CA CYS A 103 -9.598 -11.151 4.130 1.00 10.35 C ATOM 1593 C CYS A 103 -9.591 -9.633 3.854 1.00 53.54 C ATOM 1594 O CYS A 103 -9.755 -9.201 2.711 1.00 72.42 O ATOM 1595 CB CYS A 103 -8.178 -11.727 3.935 1.00 12.41 C ATOM 1596 SG CYS A 103 -7.482 -11.447 2.290 1.00 63.52 S ATOM 0 H CYS A 103 -10.679 -11.390 2.333 1.00 1.44 H new ATOM 0 HA CYS A 103 -9.908 -11.318 5.162 1.00 10.35 H new ATOM 0 HB2 CYS A 103 -7.514 -11.285 4.678 1.00 12.41 H new ATOM 0 HB3 CYS A 103 -8.204 -12.799 4.128 1.00 12.41 H new ATOM 0 HG CYS A 103 -7.886 -12.383 1.483 1.00 63.52 H new ATOM 1602 N THR A 104 -9.400 -8.828 4.915 1.00 20.45 N ATOM 1603 CA THR A 104 -9.352 -7.352 4.813 1.00 11.22 C ATOM 1604 C THR A 104 -7.894 -6.863 4.648 1.00 40.25 C ATOM 1605 O THR A 104 -7.068 -7.055 5.543 1.00 21.24 O ATOM 1606 CB THR A 104 -9.996 -6.657 6.062 1.00 5.05 C ATOM 1607 OG1 THR A 104 -11.354 -7.100 6.228 1.00 1.11 O ATOM 1608 CG2 THR A 104 -9.976 -5.112 5.943 1.00 21.34 C ATOM 0 H THR A 104 -9.275 -9.177 5.865 1.00 20.45 H new ATOM 0 HA THR A 104 -9.932 -7.076 3.932 1.00 11.22 H new ATOM 0 HB THR A 104 -9.400 -6.938 6.930 1.00 5.05 H new ATOM 0 HG1 THR A 104 -11.748 -6.662 7.011 1.00 1.11 H new ATOM 0 HG21 THR A 104 -10.432 -4.673 6.830 1.00 21.34 H new ATOM 0 HG22 THR A 104 -8.946 -4.767 5.856 1.00 21.34 H new ATOM 0 HG23 THR A 104 -10.536 -4.808 5.059 1.00 21.34 H new ATOM 1616 N VAL A 105 -7.588 -6.226 3.504 1.00 42.34 N ATOM 1617 CA VAL A 105 -6.257 -5.637 3.240 1.00 24.05 C ATOM 1618 C VAL A 105 -6.288 -4.128 3.546 1.00 13.41 C ATOM 1619 O VAL A 105 -7.048 -3.370 2.929 1.00 44.54 O ATOM 1620 CB VAL A 105 -5.795 -5.877 1.760 1.00 22.54 C ATOM 1621 CG1 VAL A 105 -4.352 -5.346 1.516 1.00 44.04 C ATOM 1622 CG2 VAL A 105 -5.903 -7.370 1.401 1.00 21.21 C ATOM 0 H VAL A 105 -8.250 -6.104 2.738 1.00 42.34 H new ATOM 0 HA VAL A 105 -5.537 -6.131 3.892 1.00 24.05 H new ATOM 0 HB VAL A 105 -6.460 -5.314 1.105 1.00 22.54 H new ATOM 0 HG11 VAL A 105 -4.067 -5.530 0.480 1.00 44.04 H new ATOM 0 HG12 VAL A 105 -4.320 -4.275 1.717 1.00 44.04 H new ATOM 0 HG13 VAL A 105 -3.658 -5.861 2.180 1.00 44.04 H new ATOM 0 HG21 VAL A 105 -5.579 -7.521 0.371 1.00 21.21 H new ATOM 0 HG22 VAL A 105 -5.269 -7.952 2.070 1.00 21.21 H new ATOM 0 HG23 VAL A 105 -6.938 -7.696 1.507 1.00 21.21 H new ATOM 1632 N VAL A 106 -5.465 -3.708 4.515 1.00 73.53 N ATOM 1633 CA VAL A 106 -5.421 -2.318 5.002 1.00 21.32 C ATOM 1634 C VAL A 106 -4.094 -1.642 4.587 1.00 70.33 C ATOM 1635 O VAL A 106 -3.014 -2.080 4.992 1.00 2.04 O ATOM 1636 CB VAL A 106 -5.592 -2.268 6.570 1.00 23.13 C ATOM 1637 CG1 VAL A 106 -5.581 -0.810 7.110 1.00 14.42 C ATOM 1638 CG2 VAL A 106 -6.882 -3.010 7.008 1.00 42.12 C ATOM 0 H VAL A 106 -4.805 -4.325 4.988 1.00 73.53 H new ATOM 0 HA VAL A 106 -6.249 -1.773 4.548 1.00 21.32 H new ATOM 0 HB VAL A 106 -4.734 -2.780 7.006 1.00 23.13 H new ATOM 0 HG11 VAL A 106 -5.701 -0.822 8.193 1.00 14.42 H new ATOM 0 HG12 VAL A 106 -4.634 -0.335 6.856 1.00 14.42 H new ATOM 0 HG13 VAL A 106 -6.400 -0.249 6.660 1.00 14.42 H new ATOM 0 HG21 VAL A 106 -6.979 -2.962 8.093 1.00 42.12 H new ATOM 0 HG22 VAL A 106 -7.748 -2.537 6.545 1.00 42.12 H new ATOM 0 HG23 VAL A 106 -6.827 -4.052 6.694 1.00 42.12 H new ATOM 1648 N TRP A 107 -4.191 -0.579 3.767 1.00 43.31 N ATOM 1649 CA TRP A 107 -3.038 0.251 3.372 1.00 53.24 C ATOM 1650 C TRP A 107 -3.100 1.600 4.140 1.00 4.44 C ATOM 1651 O TRP A 107 -4.032 2.390 3.960 1.00 21.01 O ATOM 1652 CB TRP A 107 -3.026 0.462 1.835 1.00 73.13 C ATOM 1653 CG TRP A 107 -1.706 0.926 1.240 1.00 41.51 C ATOM 1654 CD1 TRP A 107 -0.543 1.271 1.891 1.00 22.41 C ATOM 1655 CD2 TRP A 107 -1.435 1.090 -0.156 1.00 1.20 C ATOM 1656 NE1 TRP A 107 0.414 1.640 0.981 1.00 43.30 N ATOM 1657 CE2 TRP A 107 -0.109 1.538 -0.281 1.00 55.32 C ATOM 1658 CE3 TRP A 107 -2.193 0.900 -1.309 1.00 33.35 C ATOM 1659 CZ2 TRP A 107 0.471 1.804 -1.521 1.00 33.04 C ATOM 1660 CZ3 TRP A 107 -1.618 1.165 -2.534 1.00 52.21 C ATOM 1661 CH2 TRP A 107 -0.296 1.611 -2.635 1.00 55.43 C ATOM 0 H TRP A 107 -5.074 -0.271 3.359 1.00 43.31 H new ATOM 0 HA TRP A 107 -2.108 -0.253 3.633 1.00 53.24 H new ATOM 0 HB2 TRP A 107 -3.309 -0.476 1.357 1.00 73.13 H new ATOM 0 HB3 TRP A 107 -3.794 1.193 1.582 1.00 73.13 H new ATOM 0 HD1 TRP A 107 -0.405 1.254 2.962 1.00 22.41 H new ATOM 0 HE1 TRP A 107 1.362 1.942 1.207 1.00 43.30 H new ATOM 0 HE3 TRP A 107 -3.213 0.551 -1.245 1.00 33.35 H new ATOM 0 HZ2 TRP A 107 1.491 2.151 -1.598 1.00 33.04 H new ATOM 0 HZ3 TRP A 107 -2.200 1.025 -3.433 1.00 52.21 H new ATOM 0 HH2 TRP A 107 0.125 1.806 -3.610 1.00 55.43 H new ATOM 1672 N THR A 108 -2.089 1.847 4.993 1.00 1.42 N ATOM 1673 CA THR A 108 -2.083 2.978 5.953 1.00 63.41 C ATOM 1674 C THR A 108 -0.827 3.865 5.772 1.00 51.52 C ATOM 1675 O THR A 108 0.299 3.379 5.873 1.00 45.31 O ATOM 1676 CB THR A 108 -2.151 2.443 7.430 1.00 11.21 C ATOM 1677 OG1 THR A 108 -3.308 1.602 7.592 1.00 31.44 O ATOM 1678 CG2 THR A 108 -2.209 3.579 8.473 1.00 62.30 C ATOM 0 H THR A 108 -1.249 1.270 5.040 1.00 1.42 H new ATOM 0 HA THR A 108 -2.963 3.588 5.751 1.00 63.41 H new ATOM 0 HB THR A 108 -1.235 1.878 7.603 1.00 11.21 H new ATOM 0 HG1 THR A 108 -3.345 1.270 8.513 1.00 31.44 H new ATOM 0 HG21 THR A 108 -2.255 3.151 9.475 1.00 62.30 H new ATOM 0 HG22 THR A 108 -1.318 4.200 8.384 1.00 62.30 H new ATOM 0 HG23 THR A 108 -3.095 4.189 8.298 1.00 62.30 H new ATOM 1686 N ALA A 109 -1.036 5.173 5.536 1.00 73.33 N ATOM 1687 CA ALA A 109 0.050 6.166 5.374 1.00 71.52 C ATOM 1688 C ALA A 109 0.153 7.078 6.606 1.00 10.34 C ATOM 1689 O ALA A 109 -0.857 7.456 7.192 1.00 21.31 O ATOM 1690 CB ALA A 109 -0.184 7.027 4.120 1.00 74.32 C ATOM 0 H ALA A 109 -1.969 5.577 5.451 1.00 73.33 H new ATOM 0 HA ALA A 109 0.984 5.615 5.264 1.00 71.52 H new ATOM 0 HB1 ALA A 109 0.625 7.750 4.019 1.00 74.32 H new ATOM 0 HB2 ALA A 109 -0.210 6.386 3.238 1.00 74.32 H new ATOM 0 HB3 ALA A 109 -1.133 7.555 4.213 1.00 74.32 H new ATOM 1696 N MET A 110 1.385 7.410 7.006 1.00 24.02 N ATOM 1697 CA MET A 110 1.664 8.468 8.003 1.00 70.31 C ATOM 1698 C MET A 110 2.705 9.428 7.427 1.00 23.34 C ATOM 1699 O MET A 110 3.795 9.000 7.054 1.00 62.13 O ATOM 1700 CB MET A 110 2.198 7.880 9.340 1.00 1.22 C ATOM 1701 CG MET A 110 1.152 7.176 10.212 1.00 4.22 C ATOM 1702 SD MET A 110 0.520 5.627 9.517 1.00 3.55 S ATOM 1703 CE MET A 110 1.982 4.587 9.469 1.00 12.00 C ATOM 0 H MET A 110 2.226 6.955 6.650 1.00 24.02 H new ATOM 0 HA MET A 110 0.730 8.988 8.216 1.00 70.31 H new ATOM 0 HB2 MET A 110 2.994 7.171 9.113 1.00 1.22 H new ATOM 0 HB3 MET A 110 2.646 8.687 9.919 1.00 1.22 H new ATOM 0 HG2 MET A 110 1.590 6.970 11.189 1.00 4.22 H new ATOM 0 HG3 MET A 110 0.315 7.855 10.375 1.00 4.22 H new ATOM 0 HE1 MET A 110 1.696 3.549 9.641 1.00 12.00 H new ATOM 0 HE2 MET A 110 2.459 4.675 8.493 1.00 12.00 H new ATOM 0 HE3 MET A 110 2.680 4.904 10.244 1.00 12.00 H new ATOM 1713 N PHE A 111 2.389 10.725 7.380 1.00 53.23 N ATOM 1714 CA PHE A 111 3.331 11.741 6.877 1.00 52.14 C ATOM 1715 C PHE A 111 3.150 13.091 7.587 1.00 22.10 C ATOM 1716 O PHE A 111 2.042 13.440 7.989 1.00 24.34 O ATOM 1717 CB PHE A 111 3.246 11.883 5.324 1.00 53.42 C ATOM 1718 CG PHE A 111 1.835 12.011 4.728 1.00 13.41 C ATOM 1719 CD1 PHE A 111 1.059 13.150 4.943 1.00 4.00 C ATOM 1720 CD2 PHE A 111 1.297 11.000 3.929 1.00 11.42 C ATOM 1721 CE1 PHE A 111 -0.197 13.273 4.388 1.00 13.20 C ATOM 1722 CE2 PHE A 111 0.042 11.126 3.373 1.00 13.21 C ATOM 1723 CZ PHE A 111 -0.704 12.262 3.601 1.00 53.31 C ATOM 0 H PHE A 111 1.490 11.101 7.683 1.00 53.23 H new ATOM 0 HA PHE A 111 4.337 11.393 7.114 1.00 52.14 H new ATOM 0 HB2 PHE A 111 3.823 12.759 5.029 1.00 53.42 H new ATOM 0 HB3 PHE A 111 3.730 11.016 4.874 1.00 53.42 H new ATOM 0 HD1 PHE A 111 1.449 13.950 5.555 1.00 4.00 H new ATOM 0 HD2 PHE A 111 1.873 10.105 3.744 1.00 11.42 H new ATOM 0 HE1 PHE A 111 -0.783 14.162 4.570 1.00 13.20 H new ATOM 0 HE2 PHE A 111 -0.357 10.333 2.758 1.00 13.21 H new ATOM 0 HZ PHE A 111 -1.686 12.360 3.163 1.00 53.31 H new ATOM 1733 N ASP A 112 4.251 13.842 7.745 1.00 54.34 N ATOM 1734 CA ASP A 112 4.214 15.187 8.342 1.00 31.02 C ATOM 1735 C ASP A 112 3.850 16.234 7.263 1.00 40.14 C ATOM 1736 O ASP A 112 4.724 16.789 6.582 1.00 62.32 O ATOM 1737 CB ASP A 112 5.564 15.506 9.023 1.00 71.21 C ATOM 1738 CG ASP A 112 5.583 16.876 9.723 1.00 52.12 C ATOM 1739 OD1 ASP A 112 4.872 17.040 10.728 1.00 21.30 O ATOM 1740 OD2 ASP A 112 6.300 17.793 9.269 1.00 2.10 O ATOM 0 H ASP A 112 5.184 13.538 7.466 1.00 54.34 H new ATOM 0 HA ASP A 112 3.443 15.222 9.112 1.00 31.02 H new ATOM 0 HB2 ASP A 112 5.787 14.729 9.754 1.00 71.21 H new ATOM 0 HB3 ASP A 112 6.356 15.477 8.275 1.00 71.21 H new ATOM 1745 N CYS A 113 2.538 16.425 7.075 1.00 55.25 N ATOM 1746 CA CYS A 113 1.975 17.413 6.117 1.00 53.14 C ATOM 1747 C CYS A 113 0.983 18.376 6.804 1.00 31.21 C ATOM 1748 O CYS A 113 0.233 17.969 7.694 1.00 41.42 O ATOM 1749 CB CYS A 113 1.255 16.683 4.973 1.00 11.11 C ATOM 1750 SG CYS A 113 0.513 17.771 3.741 1.00 12.14 S ATOM 0 H CYS A 113 1.825 15.900 7.581 1.00 55.25 H new ATOM 0 HA CYS A 113 2.807 17.999 5.726 1.00 53.14 H new ATOM 0 HB2 CYS A 113 1.966 16.023 4.476 1.00 11.11 H new ATOM 0 HB3 CYS A 113 0.475 16.050 5.397 1.00 11.11 H new ATOM 0 HG CYS A 113 1.444 18.262 2.979 1.00 12.14 H new ATOM 1756 N SER A 114 0.991 19.651 6.357 1.00 33.13 N ATOM 1757 CA SER A 114 0.054 20.703 6.832 1.00 70.32 C ATOM 1758 C SER A 114 -1.423 20.311 6.567 1.00 55.41 C ATOM 1759 O SER A 114 -1.712 19.785 5.501 1.00 43.32 O ATOM 1760 CB SER A 114 0.374 22.047 6.130 1.00 42.13 C ATOM 1761 OG SER A 114 1.697 22.486 6.427 1.00 34.41 O ATOM 0 H SER A 114 1.649 19.985 5.653 1.00 33.13 H new ATOM 0 HA SER A 114 0.186 20.809 7.909 1.00 70.32 H new ATOM 0 HB2 SER A 114 0.260 21.932 5.052 1.00 42.13 H new ATOM 0 HB3 SER A 114 -0.342 22.805 6.447 1.00 42.13 H new ATOM 0 HG SER A 114 1.871 23.335 5.969 1.00 34.41 H new ATOM 1767 N PRO A 115 -2.388 20.590 7.521 1.00 70.31 N ATOM 1768 CA PRO A 115 -3.808 20.104 7.421 1.00 23.05 C ATOM 1769 C PRO A 115 -4.541 20.537 6.113 1.00 63.42 C ATOM 1770 O PRO A 115 -5.406 19.807 5.607 1.00 21.15 O ATOM 1771 CB PRO A 115 -4.485 20.704 8.689 1.00 25.32 C ATOM 1772 CG PRO A 115 -3.589 21.837 9.108 1.00 63.23 C ATOM 1773 CD PRO A 115 -2.184 21.393 8.760 1.00 74.20 C ATOM 0 HA PRO A 115 -3.852 19.016 7.374 1.00 23.05 H new ATOM 0 HB2 PRO A 115 -5.492 21.058 8.469 1.00 25.32 H new ATOM 0 HB3 PRO A 115 -4.575 19.958 9.479 1.00 25.32 H new ATOM 0 HG2 PRO A 115 -3.850 22.757 8.586 1.00 63.23 H new ATOM 0 HG3 PRO A 115 -3.684 22.038 10.175 1.00 63.23 H new ATOM 0 HD2 PRO A 115 -1.523 22.242 8.587 1.00 74.20 H new ATOM 0 HD3 PRO A 115 -1.738 20.799 9.558 1.00 74.20 H new ATOM 1781 N GLU A 116 -4.176 21.725 5.584 1.00 25.21 N ATOM 1782 CA GLU A 116 -4.699 22.258 4.293 1.00 61.54 C ATOM 1783 C GLU A 116 -4.351 21.334 3.100 1.00 42.21 C ATOM 1784 O GLU A 116 -5.167 21.122 2.196 1.00 3.10 O ATOM 1785 CB GLU A 116 -4.105 23.664 4.020 1.00 44.21 C ATOM 1786 CG GLU A 116 -4.344 24.699 5.130 1.00 4.05 C ATOM 1787 CD GLU A 116 -3.695 26.057 4.804 1.00 31.41 C ATOM 1788 OE1 GLU A 116 -2.482 26.220 5.056 1.00 35.24 O ATOM 1789 OE2 GLU A 116 -4.383 26.949 4.260 1.00 41.41 O ATOM 0 H GLU A 116 -3.508 22.349 6.037 1.00 25.21 H new ATOM 0 HA GLU A 116 -5.784 22.312 4.384 1.00 61.54 H new ATOM 0 HB2 GLU A 116 -3.031 23.564 3.863 1.00 44.21 H new ATOM 0 HB3 GLU A 116 -4.528 24.046 3.091 1.00 44.21 H new ATOM 0 HG2 GLU A 116 -5.416 24.835 5.274 1.00 4.05 H new ATOM 0 HG3 GLU A 116 -3.942 24.322 6.070 1.00 4.05 H new ATOM 1796 N THR A 117 -3.116 20.815 3.113 1.00 43.54 N ATOM 1797 CA THR A 117 -2.593 19.921 2.058 1.00 43.03 C ATOM 1798 C THR A 117 -2.928 18.442 2.368 1.00 51.44 C ATOM 1799 O THR A 117 -3.160 17.656 1.461 1.00 30.55 O ATOM 1800 CB THR A 117 -1.043 20.103 1.901 1.00 52.51 C ATOM 1801 OG1 THR A 117 -0.724 21.500 1.754 1.00 44.35 O ATOM 1802 CG2 THR A 117 -0.474 19.328 0.692 1.00 33.15 C ATOM 0 H THR A 117 -2.444 21.001 3.857 1.00 43.54 H new ATOM 0 HA THR A 117 -3.075 20.192 1.119 1.00 43.03 H new ATOM 0 HB THR A 117 -0.585 19.698 2.803 1.00 52.51 H new ATOM 0 HG1 THR A 117 0.246 21.606 1.658 1.00 44.35 H new ATOM 0 HG21 THR A 117 0.602 19.489 0.630 1.00 33.15 H new ATOM 0 HG22 THR A 117 -0.675 18.264 0.815 1.00 33.15 H new ATOM 0 HG23 THR A 117 -0.947 19.684 -0.223 1.00 33.15 H new ATOM 1810 N ALA A 118 -2.995 18.090 3.667 1.00 3.30 N ATOM 1811 CA ALA A 118 -3.205 16.696 4.134 1.00 70.11 C ATOM 1812 C ALA A 118 -4.619 16.177 3.767 1.00 41.41 C ATOM 1813 O ALA A 118 -4.772 15.031 3.347 1.00 1.21 O ATOM 1814 CB ALA A 118 -2.961 16.608 5.649 1.00 43.23 C ATOM 0 H ALA A 118 -2.905 18.763 4.428 1.00 3.30 H new ATOM 0 HA ALA A 118 -2.487 16.054 3.624 1.00 70.11 H new ATOM 0 HB1 ALA A 118 -3.117 15.582 5.984 1.00 43.23 H new ATOM 0 HB2 ALA A 118 -1.938 16.910 5.871 1.00 43.23 H new ATOM 0 HB3 ALA A 118 -3.655 17.269 6.168 1.00 43.23 H new ATOM 1820 N ARG A 119 -5.634 17.060 3.906 1.00 0.32 N ATOM 1821 CA ARG A 119 -7.039 16.768 3.498 1.00 64.51 C ATOM 1822 C ARG A 119 -7.135 16.491 1.967 1.00 61.21 C ATOM 1823 O ARG A 119 -7.945 15.675 1.508 1.00 31.45 O ATOM 1824 CB ARG A 119 -7.966 17.960 3.889 1.00 43.30 C ATOM 1825 CG ARG A 119 -7.654 19.268 3.123 1.00 74.23 C ATOM 1826 CD ARG A 119 -8.510 20.479 3.525 1.00 61.15 C ATOM 1827 NE ARG A 119 -8.209 21.638 2.654 1.00 55.34 N ATOM 1828 CZ ARG A 119 -8.209 22.902 3.015 1.00 41.44 C ATOM 1829 NH1 ARG A 119 -8.497 23.258 4.228 1.00 0.23 N ATOM 1830 NH2 ARG A 119 -7.892 23.808 2.144 1.00 75.12 N ATOM 0 H ARG A 119 -5.510 17.992 4.301 1.00 0.32 H new ATOM 0 HA ARG A 119 -7.367 15.871 4.023 1.00 64.51 H new ATOM 0 HB2 ARG A 119 -9.003 17.679 3.703 1.00 43.30 H new ATOM 0 HB3 ARG A 119 -7.873 18.145 4.959 1.00 43.30 H new ATOM 0 HG2 ARG A 119 -6.604 19.518 3.275 1.00 74.23 H new ATOM 0 HG3 ARG A 119 -7.787 19.087 2.056 1.00 74.23 H new ATOM 0 HD2 ARG A 119 -9.567 20.225 3.450 1.00 61.15 H new ATOM 0 HD3 ARG A 119 -8.317 20.739 4.566 1.00 61.15 H new ATOM 0 HE ARG A 119 -7.980 21.436 1.681 1.00 55.34 H new ATOM 0 HH11 ARG A 119 -8.730 22.551 4.925 1.00 0.23 H new ATOM 0 HH12 ARG A 119 -8.491 24.245 4.485 1.00 0.23 H new ATOM 0 HH21 ARG A 119 -7.647 23.536 1.192 1.00 75.12 H new ATOM 0 HH22 ARG A 119 -7.888 24.793 2.411 1.00 75.12 H new ATOM 1844 N GLU A 120 -6.274 17.190 1.206 1.00 51.23 N ATOM 1845 CA GLU A 120 -6.169 17.074 -0.259 1.00 52.42 C ATOM 1846 C GLU A 120 -5.460 15.756 -0.646 1.00 41.30 C ATOM 1847 O GLU A 120 -5.815 15.107 -1.627 1.00 31.32 O ATOM 1848 CB GLU A 120 -5.395 18.309 -0.788 1.00 52.35 C ATOM 1849 CG GLU A 120 -5.219 18.389 -2.312 1.00 21.31 C ATOM 1850 CD GLU A 120 -4.494 19.672 -2.754 1.00 1.25 C ATOM 1851 OE1 GLU A 120 -5.150 20.734 -2.830 1.00 12.53 O ATOM 1852 OE2 GLU A 120 -3.268 19.631 -3.010 1.00 60.05 O ATOM 0 H GLU A 120 -5.619 17.865 1.600 1.00 51.23 H new ATOM 0 HA GLU A 120 -7.161 17.049 -0.710 1.00 52.42 H new ATOM 0 HB2 GLU A 120 -5.913 19.208 -0.454 1.00 52.35 H new ATOM 0 HB3 GLU A 120 -4.407 18.320 -0.327 1.00 52.35 H new ATOM 0 HG2 GLU A 120 -4.657 17.521 -2.656 1.00 21.31 H new ATOM 0 HG3 GLU A 120 -6.197 18.345 -2.790 1.00 21.31 H new ATOM 1859 N LEU A 121 -4.467 15.364 0.173 1.00 41.15 N ATOM 1860 CA LEU A 121 -3.705 14.114 -0.015 1.00 40.22 C ATOM 1861 C LEU A 121 -4.533 12.874 0.384 1.00 44.12 C ATOM 1862 O LEU A 121 -4.257 11.782 -0.087 1.00 14.14 O ATOM 1863 CB LEU A 121 -2.365 14.164 0.769 1.00 22.03 C ATOM 1864 CG LEU A 121 -1.367 15.287 0.334 1.00 51.14 C ATOM 1865 CD1 LEU A 121 -0.064 15.237 1.157 1.00 25.43 C ATOM 1866 CD2 LEU A 121 -1.079 15.219 -1.181 1.00 2.40 C ATOM 0 H LEU A 121 -4.169 15.905 0.985 1.00 41.15 H new ATOM 0 HA LEU A 121 -3.478 14.024 -1.077 1.00 40.22 H new ATOM 0 HB2 LEU A 121 -2.589 14.293 1.828 1.00 22.03 H new ATOM 0 HB3 LEU A 121 -1.867 13.200 0.664 1.00 22.03 H new ATOM 0 HG LEU A 121 -1.842 16.246 0.539 1.00 51.14 H new ATOM 0 HD11 LEU A 121 0.605 16.032 0.827 1.00 25.43 H new ATOM 0 HD12 LEU A 121 -0.296 15.373 2.213 1.00 25.43 H new ATOM 0 HD13 LEU A 121 0.421 14.271 1.013 1.00 25.43 H new ATOM 0 HD21 LEU A 121 -0.382 16.011 -1.455 1.00 2.40 H new ATOM 0 HD22 LEU A 121 -0.642 14.251 -1.425 1.00 2.40 H new ATOM 0 HD23 LEU A 121 -2.009 15.347 -1.734 1.00 2.40 H new ATOM 1878 N GLU A 122 -5.540 13.042 1.262 1.00 70.31 N ATOM 1879 CA GLU A 122 -6.519 11.959 1.547 1.00 40.10 C ATOM 1880 C GLU A 122 -7.331 11.605 0.274 1.00 75.14 C ATOM 1881 O GLU A 122 -7.698 10.445 0.056 1.00 33.32 O ATOM 1882 CB GLU A 122 -7.466 12.357 2.713 1.00 22.51 C ATOM 1883 CG GLU A 122 -6.750 12.574 4.058 1.00 55.41 C ATOM 1884 CD GLU A 122 -7.700 12.939 5.210 1.00 53.00 C ATOM 1885 OE1 GLU A 122 -8.093 14.122 5.323 1.00 54.33 O ATOM 1886 OE2 GLU A 122 -8.057 12.051 6.011 1.00 74.23 O ATOM 0 H GLU A 122 -5.702 13.903 1.784 1.00 70.31 H new ATOM 0 HA GLU A 122 -5.963 11.073 1.854 1.00 40.10 H new ATOM 0 HB2 GLU A 122 -7.993 13.272 2.443 1.00 22.51 H new ATOM 0 HB3 GLU A 122 -8.220 11.579 2.836 1.00 22.51 H new ATOM 0 HG2 GLU A 122 -6.206 11.667 4.321 1.00 55.41 H new ATOM 0 HG3 GLU A 122 -6.011 13.367 3.943 1.00 55.41 H new ATOM 1893 N SER A 123 -7.616 12.630 -0.547 1.00 70.42 N ATOM 1894 CA SER A 123 -8.240 12.455 -1.879 1.00 72.14 C ATOM 1895 C SER A 123 -7.249 11.843 -2.915 1.00 63.51 C ATOM 1896 O SER A 123 -7.532 10.801 -3.506 1.00 73.22 O ATOM 1897 CB SER A 123 -8.768 13.817 -2.392 1.00 61.02 C ATOM 1898 OG SER A 123 -9.667 14.412 -1.468 1.00 42.03 O ATOM 0 H SER A 123 -7.423 13.603 -0.311 1.00 70.42 H new ATOM 0 HA SER A 123 -9.068 11.755 -1.767 1.00 72.14 H new ATOM 0 HB2 SER A 123 -7.929 14.490 -2.568 1.00 61.02 H new ATOM 0 HB3 SER A 123 -9.270 13.676 -3.349 1.00 61.02 H new ATOM 0 HG SER A 123 -9.980 15.271 -1.822 1.00 42.03 H new ATOM 1904 N VAL A 124 -6.086 12.501 -3.125 1.00 74.33 N ATOM 1905 CA VAL A 124 -5.113 12.111 -4.185 1.00 53.23 C ATOM 1906 C VAL A 124 -4.349 10.798 -3.837 1.00 34.02 C ATOM 1907 O VAL A 124 -4.341 9.845 -4.621 1.00 71.43 O ATOM 1908 CB VAL A 124 -4.084 13.279 -4.452 1.00 23.22 C ATOM 1909 CG1 VAL A 124 -3.087 12.915 -5.586 1.00 52.03 C ATOM 1910 CG2 VAL A 124 -4.823 14.610 -4.764 1.00 60.32 C ATOM 0 H VAL A 124 -5.793 13.308 -2.575 1.00 74.33 H new ATOM 0 HA VAL A 124 -5.691 11.923 -5.090 1.00 53.23 H new ATOM 0 HB VAL A 124 -3.503 13.420 -3.540 1.00 23.22 H new ATOM 0 HG11 VAL A 124 -2.395 13.742 -5.741 1.00 52.03 H new ATOM 0 HG12 VAL A 124 -2.528 12.022 -5.306 1.00 52.03 H new ATOM 0 HG13 VAL A 124 -3.638 12.725 -6.507 1.00 52.03 H new ATOM 0 HG21 VAL A 124 -4.092 15.398 -4.944 1.00 60.32 H new ATOM 0 HG22 VAL A 124 -5.444 14.482 -5.650 1.00 60.32 H new ATOM 0 HG23 VAL A 124 -5.451 14.884 -3.917 1.00 60.32 H new ATOM 1920 N ILE A 125 -3.712 10.766 -2.660 1.00 43.44 N ATOM 1921 CA ILE A 125 -2.947 9.586 -2.186 1.00 45.40 C ATOM 1922 C ILE A 125 -3.905 8.495 -1.627 1.00 54.34 C ATOM 1923 O ILE A 125 -3.831 7.335 -2.028 1.00 2.45 O ATOM 1924 CB ILE A 125 -1.881 9.993 -1.086 1.00 42.21 C ATOM 1925 CG1 ILE A 125 -0.872 11.051 -1.648 1.00 21.14 C ATOM 1926 CG2 ILE A 125 -1.136 8.757 -0.513 1.00 44.35 C ATOM 1927 CD1 ILE A 125 0.179 11.536 -0.647 1.00 0.14 C ATOM 0 H ILE A 125 -3.707 11.549 -2.006 1.00 43.44 H new ATOM 0 HA ILE A 125 -2.412 9.177 -3.043 1.00 45.40 H new ATOM 0 HB ILE A 125 -2.426 10.449 -0.260 1.00 42.21 H new ATOM 0 HG12 ILE A 125 -0.361 10.622 -2.510 1.00 21.14 H new ATOM 0 HG13 ILE A 125 -1.435 11.913 -2.008 1.00 21.14 H new ATOM 0 HG21 ILE A 125 -0.415 9.082 0.237 1.00 44.35 H new ATOM 0 HG22 ILE A 125 -1.856 8.079 -0.055 1.00 44.35 H new ATOM 0 HG23 ILE A 125 -0.613 8.241 -1.319 1.00 44.35 H new ATOM 0 HD11 ILE A 125 0.831 12.265 -1.128 1.00 0.14 H new ATOM 0 HD12 ILE A 125 -0.317 12.000 0.206 1.00 0.14 H new ATOM 0 HD13 ILE A 125 0.773 10.689 -0.304 1.00 0.14 H new ATOM 1939 N GLY A 126 -4.807 8.898 -0.714 1.00 71.44 N ATOM 1940 CA GLY A 126 -5.714 7.965 -0.023 1.00 15.21 C ATOM 1941 C GLY A 126 -6.712 7.247 -0.938 1.00 1.13 C ATOM 1942 O GLY A 126 -6.871 6.033 -0.857 1.00 51.12 O ATOM 0 H GLY A 126 -4.927 9.872 -0.436 1.00 71.44 H new ATOM 0 HA2 GLY A 126 -5.116 7.217 0.498 1.00 15.21 H new ATOM 0 HA3 GLY A 126 -6.269 8.515 0.737 1.00 15.21 H new ATOM 1946 N ASP A 127 -7.411 7.994 -1.798 1.00 40.04 N ATOM 1947 CA ASP A 127 -8.379 7.399 -2.744 1.00 50.41 C ATOM 1948 C ASP A 127 -7.705 7.067 -4.103 1.00 53.20 C ATOM 1949 O ASP A 127 -7.768 5.924 -4.570 1.00 25.41 O ATOM 1950 CB ASP A 127 -9.595 8.339 -2.931 1.00 70.23 C ATOM 1951 CG ASP A 127 -10.704 7.703 -3.787 1.00 24.33 C ATOM 1952 OD1 ASP A 127 -11.415 6.807 -3.282 1.00 62.20 O ATOM 1953 OD2 ASP A 127 -10.848 8.059 -4.974 1.00 43.10 O ATOM 0 H ASP A 127 -7.330 9.009 -1.864 1.00 40.04 H new ATOM 0 HA ASP A 127 -8.737 6.459 -2.324 1.00 50.41 H new ATOM 0 HB2 ASP A 127 -10.000 8.602 -1.954 1.00 70.23 H new ATOM 0 HB3 ASP A 127 -9.265 9.266 -3.400 1.00 70.23 H new ATOM 1958 N GLY A 128 -7.032 8.074 -4.691 1.00 20.23 N ATOM 1959 CA GLY A 128 -6.463 7.978 -6.050 1.00 22.22 C ATOM 1960 C GLY A 128 -5.328 6.959 -6.218 1.00 54.33 C ATOM 1961 O GLY A 128 -5.121 6.438 -7.314 1.00 12.44 O ATOM 0 H GLY A 128 -6.867 8.974 -4.240 1.00 20.23 H new ATOM 0 HA2 GLY A 128 -7.264 7.722 -6.744 1.00 22.22 H new ATOM 0 HA3 GLY A 128 -6.092 8.961 -6.340 1.00 22.22 H new ATOM 1965 N VAL A 129 -4.566 6.697 -5.147 1.00 10.23 N ATOM 1966 CA VAL A 129 -3.492 5.674 -5.161 1.00 34.33 C ATOM 1967 C VAL A 129 -3.933 4.413 -4.380 1.00 54.23 C ATOM 1968 O VAL A 129 -3.991 3.313 -4.944 1.00 2.22 O ATOM 1969 CB VAL A 129 -2.150 6.247 -4.562 1.00 62.13 C ATOM 1970 CG1 VAL A 129 -1.008 5.195 -4.562 1.00 34.25 C ATOM 1971 CG2 VAL A 129 -1.712 7.538 -5.302 1.00 1.40 C ATOM 0 H VAL A 129 -4.668 7.178 -4.253 1.00 10.23 H new ATOM 0 HA VAL A 129 -3.308 5.398 -6.199 1.00 34.33 H new ATOM 0 HB VAL A 129 -2.353 6.500 -3.521 1.00 62.13 H new ATOM 0 HG11 VAL A 129 -0.106 5.638 -4.140 1.00 34.25 H new ATOM 0 HG12 VAL A 129 -1.305 4.335 -3.962 1.00 34.25 H new ATOM 0 HG13 VAL A 129 -0.810 4.873 -5.584 1.00 34.25 H new ATOM 0 HG21 VAL A 129 -0.784 7.910 -4.867 1.00 1.40 H new ATOM 0 HG22 VAL A 129 -1.555 7.317 -6.358 1.00 1.40 H new ATOM 0 HG23 VAL A 129 -2.489 8.296 -5.202 1.00 1.40 H new ATOM 1981 N PHE A 130 -4.278 4.597 -3.088 1.00 55.20 N ATOM 1982 CA PHE A 130 -4.529 3.474 -2.148 1.00 44.42 C ATOM 1983 C PHE A 130 -5.839 2.733 -2.458 1.00 73.51 C ATOM 1984 O PHE A 130 -5.807 1.563 -2.845 1.00 71.12 O ATOM 1985 CB PHE A 130 -4.527 3.964 -0.659 1.00 44.44 C ATOM 1986 CG PHE A 130 -3.179 4.387 -0.073 1.00 45.33 C ATOM 1987 CD1 PHE A 130 -2.105 4.766 -0.879 1.00 40.43 C ATOM 1988 CD2 PHE A 130 -2.990 4.396 1.310 1.00 45.22 C ATOM 1989 CE1 PHE A 130 -0.895 5.134 -0.329 1.00 2.33 C ATOM 1990 CE2 PHE A 130 -1.781 4.760 1.859 1.00 54.21 C ATOM 1991 CZ PHE A 130 -0.732 5.131 1.042 1.00 13.12 C ATOM 0 H PHE A 130 -4.391 5.519 -2.666 1.00 55.20 H new ATOM 0 HA PHE A 130 -3.709 2.769 -2.287 1.00 44.42 H new ATOM 0 HB2 PHE A 130 -5.212 4.808 -0.578 1.00 44.44 H new ATOM 0 HB3 PHE A 130 -4.931 3.165 -0.038 1.00 44.44 H new ATOM 0 HD1 PHE A 130 -2.223 4.771 -1.952 1.00 40.43 H new ATOM 0 HD2 PHE A 130 -3.805 4.113 1.960 1.00 45.22 H new ATOM 0 HE1 PHE A 130 -0.076 5.424 -0.970 1.00 2.33 H new ATOM 0 HE2 PHE A 130 -1.653 4.755 2.931 1.00 54.21 H new ATOM 0 HZ PHE A 130 0.215 5.419 1.475 1.00 13.12 H new ATOM 2001 N ALA A 131 -6.980 3.430 -2.308 1.00 22.12 N ATOM 2002 CA ALA A 131 -8.323 2.829 -2.490 1.00 63.41 C ATOM 2003 C ALA A 131 -8.516 2.255 -3.917 1.00 73.22 C ATOM 2004 O ALA A 131 -9.215 1.270 -4.101 1.00 73.23 O ATOM 2005 CB ALA A 131 -9.410 3.856 -2.160 1.00 23.41 C ATOM 0 H ALA A 131 -7.003 4.419 -2.059 1.00 22.12 H new ATOM 0 HA ALA A 131 -8.408 1.991 -1.798 1.00 63.41 H new ATOM 0 HB1 ALA A 131 -10.392 3.403 -2.297 1.00 23.41 H new ATOM 0 HB2 ALA A 131 -9.302 4.181 -1.125 1.00 23.41 H new ATOM 0 HB3 ALA A 131 -9.311 4.716 -2.822 1.00 23.41 H new ATOM 2011 N VAL A 132 -7.862 2.882 -4.904 1.00 71.02 N ATOM 2012 CA VAL A 132 -7.782 2.366 -6.291 1.00 30.43 C ATOM 2013 C VAL A 132 -7.149 0.942 -6.347 1.00 42.31 C ATOM 2014 O VAL A 132 -7.759 0.007 -6.888 1.00 45.03 O ATOM 2015 CB VAL A 132 -6.972 3.381 -7.190 1.00 10.44 C ATOM 2016 CG1 VAL A 132 -6.376 2.717 -8.447 1.00 1.14 C ATOM 2017 CG2 VAL A 132 -7.848 4.593 -7.585 1.00 14.22 C ATOM 0 H VAL A 132 -7.369 3.765 -4.770 1.00 71.02 H new ATOM 0 HA VAL A 132 -8.797 2.275 -6.679 1.00 30.43 H new ATOM 0 HB VAL A 132 -6.136 3.731 -6.584 1.00 10.44 H new ATOM 0 HG11 VAL A 132 -5.830 3.461 -9.027 1.00 1.14 H new ATOM 0 HG12 VAL A 132 -5.696 1.919 -8.149 1.00 1.14 H new ATOM 0 HG13 VAL A 132 -7.180 2.301 -9.055 1.00 1.14 H new ATOM 0 HG21 VAL A 132 -7.266 5.276 -8.204 1.00 14.22 H new ATOM 0 HG22 VAL A 132 -8.717 4.247 -8.145 1.00 14.22 H new ATOM 0 HG23 VAL A 132 -8.179 5.111 -6.685 1.00 14.22 H new ATOM 2027 N GLY A 133 -5.940 0.800 -5.767 1.00 51.41 N ATOM 2028 CA GLY A 133 -5.208 -0.474 -5.783 1.00 74.23 C ATOM 2029 C GLY A 133 -5.899 -1.573 -4.967 1.00 53.01 C ATOM 2030 O GLY A 133 -5.979 -2.727 -5.397 1.00 50.23 O ATOM 0 H GLY A 133 -5.453 1.554 -5.283 1.00 51.41 H new ATOM 0 HA2 GLY A 133 -5.097 -0.810 -6.814 1.00 74.23 H new ATOM 0 HA3 GLY A 133 -4.204 -0.315 -5.390 1.00 74.23 H new ATOM 2034 N LEU A 134 -6.424 -1.181 -3.794 1.00 65.04 N ATOM 2035 CA LEU A 134 -7.135 -2.083 -2.861 1.00 64.14 C ATOM 2036 C LEU A 134 -8.465 -2.611 -3.460 1.00 54.21 C ATOM 2037 O LEU A 134 -8.777 -3.797 -3.336 1.00 14.01 O ATOM 2038 CB LEU A 134 -7.405 -1.348 -1.521 1.00 74.21 C ATOM 2039 CG LEU A 134 -6.153 -0.936 -0.685 1.00 54.31 C ATOM 2040 CD1 LEU A 134 -6.576 -0.254 0.632 1.00 32.11 C ATOM 2041 CD2 LEU A 134 -5.221 -2.141 -0.424 1.00 52.42 C ATOM 0 H LEU A 134 -6.368 -0.219 -3.460 1.00 65.04 H new ATOM 0 HA LEU A 134 -6.494 -2.947 -2.683 1.00 64.14 H new ATOM 0 HB2 LEU A 134 -7.982 -0.449 -1.736 1.00 74.21 H new ATOM 0 HB3 LEU A 134 -8.033 -1.989 -0.901 1.00 74.21 H new ATOM 0 HG LEU A 134 -5.584 -0.213 -1.270 1.00 54.31 H new ATOM 0 HD11 LEU A 134 -5.688 0.025 1.199 1.00 32.11 H new ATOM 0 HD12 LEU A 134 -7.159 0.639 0.408 1.00 32.11 H new ATOM 0 HD13 LEU A 134 -7.181 -0.944 1.221 1.00 32.11 H new ATOM 0 HD21 LEU A 134 -4.361 -1.816 0.161 1.00 52.42 H new ATOM 0 HD22 LEU A 134 -5.764 -2.909 0.127 1.00 52.42 H new ATOM 0 HD23 LEU A 134 -4.880 -2.550 -1.375 1.00 52.42 H new ATOM 2053 N ASN A 135 -9.243 -1.716 -4.111 1.00 35.34 N ATOM 2054 CA ASN A 135 -10.526 -2.099 -4.758 1.00 23.20 C ATOM 2055 C ASN A 135 -10.280 -2.980 -6.003 1.00 51.54 C ATOM 2056 O ASN A 135 -11.025 -3.921 -6.230 1.00 71.11 O ATOM 2057 CB ASN A 135 -11.389 -0.862 -5.129 1.00 52.24 C ATOM 2058 CG ASN A 135 -11.946 -0.114 -3.908 1.00 4.21 C ATOM 2059 OD1 ASN A 135 -12.191 -0.697 -2.855 1.00 3.12 O ATOM 2060 ND2 ASN A 135 -12.162 1.180 -4.043 1.00 72.22 N ATOM 0 H ASN A 135 -9.009 -0.728 -4.204 1.00 35.34 H new ATOM 0 HA ASN A 135 -11.086 -2.680 -4.026 1.00 23.20 H new ATOM 0 HB2 ASN A 135 -10.787 -0.174 -5.723 1.00 52.24 H new ATOM 0 HB3 ASN A 135 -12.219 -1.184 -5.758 1.00 52.24 H new ATOM 0 HD21 ASN A 135 -12.540 1.718 -3.263 1.00 72.22 H new ATOM 0 HD22 ASN A 135 -11.951 1.643 -4.927 1.00 72.22 H new ATOM 2067 N ALA A 136 -9.219 -2.682 -6.783 1.00 50.14 N ATOM 2068 CA ALA A 136 -8.813 -3.519 -7.948 1.00 3.53 C ATOM 2069 C ALA A 136 -8.397 -4.937 -7.496 1.00 64.51 C ATOM 2070 O ALA A 136 -8.664 -5.931 -8.182 1.00 72.23 O ATOM 2071 CB ALA A 136 -7.670 -2.841 -8.720 1.00 33.12 C ATOM 0 H ALA A 136 -8.623 -1.868 -6.632 1.00 50.14 H new ATOM 0 HA ALA A 136 -9.672 -3.618 -8.611 1.00 3.53 H new ATOM 0 HB1 ALA A 136 -7.384 -3.464 -9.568 1.00 33.12 H new ATOM 0 HB2 ALA A 136 -8.002 -1.867 -9.080 1.00 33.12 H new ATOM 0 HB3 ALA A 136 -6.812 -2.711 -8.060 1.00 33.12 H new ATOM 2077 N LEU A 137 -7.756 -4.998 -6.317 1.00 32.03 N ATOM 2078 CA LEU A 137 -7.373 -6.260 -5.657 1.00 62.22 C ATOM 2079 C LEU A 137 -8.652 -7.038 -5.219 1.00 64.34 C ATOM 2080 O LEU A 137 -8.745 -8.257 -5.382 1.00 40.23 O ATOM 2081 CB LEU A 137 -6.433 -5.930 -4.451 1.00 43.44 C ATOM 2082 CG LEU A 137 -5.459 -7.054 -3.962 1.00 41.01 C ATOM 2083 CD1 LEU A 137 -4.412 -6.497 -2.986 1.00 21.40 C ATOM 2084 CD2 LEU A 137 -6.186 -8.238 -3.316 1.00 62.01 C ATOM 0 H LEU A 137 -7.486 -4.167 -5.790 1.00 32.03 H new ATOM 0 HA LEU A 137 -6.828 -6.906 -6.345 1.00 62.22 H new ATOM 0 HB2 LEU A 137 -5.834 -5.060 -4.720 1.00 43.44 H new ATOM 0 HB3 LEU A 137 -7.059 -5.637 -3.608 1.00 43.44 H new ATOM 0 HG LEU A 137 -4.960 -7.424 -4.858 1.00 41.01 H new ATOM 0 HD11 LEU A 137 -3.750 -7.301 -2.664 1.00 21.40 H new ATOM 0 HD12 LEU A 137 -3.827 -5.723 -3.483 1.00 21.40 H new ATOM 0 HD13 LEU A 137 -4.914 -6.071 -2.118 1.00 21.40 H new ATOM 0 HD21 LEU A 137 -5.457 -8.983 -2.998 1.00 62.01 H new ATOM 0 HD22 LEU A 137 -6.750 -7.890 -2.451 1.00 62.01 H new ATOM 0 HD23 LEU A 137 -6.869 -8.684 -4.039 1.00 62.01 H new ATOM 2096 N ALA A 138 -9.637 -6.303 -4.688 1.00 34.41 N ATOM 2097 CA ALA A 138 -10.939 -6.872 -4.278 1.00 1.53 C ATOM 2098 C ALA A 138 -11.769 -7.377 -5.487 1.00 20.12 C ATOM 2099 O ALA A 138 -12.502 -8.356 -5.372 1.00 50.01 O ATOM 2100 CB ALA A 138 -11.732 -5.823 -3.500 1.00 53.25 C ATOM 0 H ALA A 138 -9.560 -5.299 -4.528 1.00 34.41 H new ATOM 0 HA ALA A 138 -10.738 -7.735 -3.644 1.00 1.53 H new ATOM 0 HB1 ALA A 138 -12.692 -6.243 -3.198 1.00 53.25 H new ATOM 0 HB2 ALA A 138 -11.171 -5.526 -2.614 1.00 53.25 H new ATOM 0 HB3 ALA A 138 -11.900 -4.951 -4.132 1.00 53.25 H new ATOM 2106 N GLU A 139 -11.642 -6.685 -6.641 1.00 35.11 N ATOM 2107 CA GLU A 139 -12.386 -7.018 -7.881 1.00 65.13 C ATOM 2108 C GLU A 139 -11.850 -8.309 -8.535 1.00 74.31 C ATOM 2109 O GLU A 139 -12.634 -9.195 -8.892 1.00 75.21 O ATOM 2110 CB GLU A 139 -12.333 -5.824 -8.885 1.00 12.34 C ATOM 2111 CG GLU A 139 -13.124 -4.583 -8.426 1.00 61.45 C ATOM 2112 CD GLU A 139 -12.939 -3.364 -9.351 1.00 55.44 C ATOM 2113 OE1 GLU A 139 -11.850 -2.749 -9.329 1.00 11.51 O ATOM 2114 OE2 GLU A 139 -13.873 -3.013 -10.102 1.00 61.13 O ATOM 0 H GLU A 139 -11.023 -5.881 -6.741 1.00 35.11 H new ATOM 0 HA GLU A 139 -13.426 -7.198 -7.608 1.00 65.13 H new ATOM 0 HB2 GLU A 139 -11.292 -5.541 -9.042 1.00 12.34 H new ATOM 0 HB3 GLU A 139 -12.722 -6.155 -9.848 1.00 12.34 H new ATOM 0 HG2 GLU A 139 -14.183 -4.834 -8.376 1.00 61.45 H new ATOM 0 HG3 GLU A 139 -12.812 -4.315 -7.417 1.00 61.45 H new ATOM 2121 N ARG A 140 -10.508 -8.430 -8.635 1.00 43.22 N ATOM 2122 CA ARG A 140 -9.856 -9.594 -9.296 1.00 12.24 C ATOM 2123 C ARG A 140 -10.112 -10.916 -8.528 1.00 31.42 C ATOM 2124 O ARG A 140 -10.105 -11.998 -9.120 1.00 41.14 O ATOM 2125 CB ARG A 140 -8.327 -9.358 -9.476 1.00 41.20 C ATOM 2126 CG ARG A 140 -7.542 -9.114 -8.169 1.00 34.22 C ATOM 2127 CD ARG A 140 -6.013 -9.106 -8.361 1.00 23.11 C ATOM 2128 NE ARG A 140 -5.495 -10.449 -8.690 1.00 62.04 N ATOM 2129 CZ ARG A 140 -4.249 -10.737 -8.995 1.00 22.10 C ATOM 2130 NH1 ARG A 140 -3.338 -9.816 -9.087 1.00 70.34 N ATOM 2131 NH2 ARG A 140 -3.928 -11.967 -9.224 1.00 13.15 N ATOM 0 H ARG A 140 -9.852 -7.740 -8.269 1.00 43.22 H new ATOM 0 HA ARG A 140 -10.309 -9.690 -10.283 1.00 12.24 H new ATOM 0 HB2 ARG A 140 -7.899 -10.223 -9.982 1.00 41.20 H new ATOM 0 HB3 ARG A 140 -8.183 -8.501 -10.133 1.00 41.20 H new ATOM 0 HG2 ARG A 140 -7.851 -8.160 -7.742 1.00 34.22 H new ATOM 0 HG3 ARG A 140 -7.805 -9.887 -7.447 1.00 34.22 H new ATOM 0 HD2 ARG A 140 -5.750 -8.410 -9.158 1.00 23.11 H new ATOM 0 HD3 ARG A 140 -5.534 -8.745 -7.451 1.00 23.11 H new ATOM 0 HE ARG A 140 -6.162 -11.221 -8.680 1.00 62.04 H new ATOM 0 HH11 ARG A 140 -3.581 -8.840 -8.921 1.00 70.34 H new ATOM 0 HH12 ARG A 140 -2.379 -10.069 -9.325 1.00 70.34 H new ATOM 0 HH21 ARG A 140 -4.637 -12.698 -9.167 1.00 13.15 H new ATOM 0 HH22 ARG A 140 -2.966 -12.207 -9.462 1.00 13.15 H new ATOM 2145 N TYR A 141 -10.346 -10.816 -7.206 1.00 23.14 N ATOM 2146 CA TYR A 141 -10.690 -11.977 -6.354 1.00 54.22 C ATOM 2147 C TYR A 141 -12.213 -12.089 -6.100 1.00 4.13 C ATOM 2148 O TYR A 141 -12.717 -13.180 -5.820 1.00 54.53 O ATOM 2149 CB TYR A 141 -9.926 -11.903 -5.017 1.00 25.34 C ATOM 2150 CG TYR A 141 -8.419 -12.175 -5.138 1.00 42.42 C ATOM 2151 CD1 TYR A 141 -7.935 -13.466 -5.368 1.00 35.22 C ATOM 2152 CD2 TYR A 141 -7.485 -11.161 -4.985 1.00 62.00 C ATOM 2153 CE1 TYR A 141 -6.582 -13.722 -5.442 1.00 33.04 C ATOM 2154 CE2 TYR A 141 -6.139 -11.409 -5.062 1.00 52.44 C ATOM 2155 CZ TYR A 141 -5.685 -12.689 -5.288 1.00 54.12 C ATOM 2156 OH TYR A 141 -4.332 -12.933 -5.368 1.00 61.15 O ATOM 0 H TYR A 141 -10.303 -9.933 -6.697 1.00 23.14 H new ATOM 0 HA TYR A 141 -10.388 -12.875 -6.893 1.00 54.22 H new ATOM 0 HB2 TYR A 141 -10.072 -10.914 -4.582 1.00 25.34 H new ATOM 0 HB3 TYR A 141 -10.359 -12.623 -4.323 1.00 25.34 H new ATOM 0 HD1 TYR A 141 -8.635 -14.279 -5.490 1.00 35.22 H new ATOM 0 HD2 TYR A 141 -7.826 -10.153 -4.801 1.00 62.00 H new ATOM 0 HE1 TYR A 141 -6.228 -14.727 -5.620 1.00 33.04 H new ATOM 0 HE2 TYR A 141 -5.434 -10.599 -4.945 1.00 52.44 H new ATOM 0 HH TYR A 141 -4.171 -13.688 -5.971 1.00 61.15 H new ATOM 2166 N GLY A 142 -12.950 -10.973 -6.230 1.00 71.52 N ATOM 2167 CA GLY A 142 -14.416 -10.966 -6.020 1.00 53.34 C ATOM 2168 C GLY A 142 -15.200 -11.746 -7.088 1.00 13.31 C ATOM 2169 O GLY A 142 -16.392 -12.023 -6.918 1.00 22.11 O ATOM 0 H GLY A 142 -12.560 -10.064 -6.479 1.00 71.52 H new ATOM 0 HA2 GLY A 142 -14.635 -11.390 -5.040 1.00 53.34 H new ATOM 0 HA3 GLY A 142 -14.767 -9.934 -6.007 1.00 53.34 H new